C9H10N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-ọkan, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl) , (2R,3 R,3aS,9aR)- (9CI, ACI)

ọja

C9H10N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-ọkan, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl) , (2R,3 R,3aS,9aR)- (9CI, ACI)

Alaye ipilẹ:


Alaye ọja

ọja Tags

Awọn alaye nkan elo

Nọmba iforukọsilẹ CAS

3736-77-4

Key Properties Properties Iye Ipo
Òṣuwọn Molikula 226.19 -
Ibi Iyọ (Ayẹwo) 234-235 °C -
Oju Ise (Asọtẹlẹ) 456,3 ± 55,0 °C Tẹ: 760 Torr
iwuwo (Asọtẹlẹ) 2,01 ± 0,1 g / cm3 Iwọn otutu: 20 °C; Tẹ: 760 Torr
pKa (Asọtẹlẹ) 12.55 ± 0.40 Pupọ Epo otutu: 25 °C

Miiran awọn orukọ ati idamo

Ẹ̀RẸ̀ KẸ̀LẸ̀
O=C1N=C2OC3C(O)C(OC3N2C=C1)CO
ISOMERIC SMILES
O[C@H]1[C@]2([C@](N3C(O2)= NC(=O)C=C3)(O[C@H]1CO)[H])[H]
InChi
InChi = 1S/C9H10N2O5/c12-3-4-6(14)7-8(15-4)11-2-1-5(13)10-9(11)16-7/h1-2,4, 6-8,12,14H,3H2/t4-,6-,7+,8-/m1/s1
InChi Key
UUGITDASWNOAGG-CCXZUQQUSA-N
13 Awọn orukọ miiran fun nkan yii
(2R,3 R,3aS,9aR) -2,3,3a,9a-Tetrahydro-3-hydroxy-2- (hydroxymethyl) -6H-furo[2′,3′:4,5]oxazolo[3,2] -a] pyrimidin-6-ọkan (ACI); 6H-Furo [2′, 3′:4,5]oxazolo [3,2-a] pyrimidin-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2- (hydroxymethyl) - (6CI) , 7CI); 6H-Furo [2′,3′:4,5]oxazolo [3,2-a] pyrimidin-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2- (hydroxymethyl) -, [ 2R- (2α,3β,3aβ,9aβ)]- (ZCI); 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]

pyrimidin-6-ọkan, 2,3,3a,9a-tetrahydro-3-hydroxy-2- (hydroxymethyl) -, stereoisomer (8CI); 2,2 '-Anhydro (1- β -D-arabinofuranosyl) uracil; 2,2 '-Anhydro-1- β -D-arabino-furanosyluracil; 2,2 '-Anhydro-N1- (β -D-arabinofuranosyl) uracil; 2,2 '-Anhydrouridine; 2,2 '-O-Cyclouridine; NSC 157148; O2,2 '-Anhydrouridine; O2,2 '-Cyclouridine; β -D-2′,2-O-Cycloarabinouridine

Esiperimenta Properties

Awọn ohun-ini ti o wa
Opitika ati tuka
Gbona

Opitika ati Scatering

Ohun ini Iye Ipo Orisun
Opitika Yiyi Power -19 iwọn Ohun elo: kẹmika; λ: 589.3 nm; Iwọn otutu: 26 °C (1) CAS

(1) Codington, John F.; Iwe akosile ti American Chemical Society, (1961), 83, 5030-1, CAplus

Gbona

Ohun ini Iye Ipo Orisun
Ojuami Iyo 250-253 °C   (1) CAS
Ojuami Iyo 246 °C Ohun elo: Ethanol; Isopropanol (2) CAS
Ojuami Iyo 242-245 °C   (3) CAS
Ojuami Iyo 242-243 °C   (4) CAS
Ojuami Iyo 236-238 °C (decomp)   (5) CAS
Ojuami Iyo 234 °C   (6) CAS
Ojuami Iyo 234-235 °C   (7) CAS
Ojuami Iyo 233-234°C (decomp) Ohun elo: kẹmika (8) CAS
Ojuami Iyo Wo Ẹkunrẹrẹ Ọrọ   (9) CAS

(1) Lin, Kun-I.; Iwe akosile ti Awujọ Kemikali Kannada (Taipei, Taiwan), (2007), 54 (2), 563-568, CAplus

(2) Takatsuki, Ken-ichi; Nucleosides, Nucleotides & Nucleic Acids, (2006), 25(7), 719-734, CAplus

(3) Wnuk, Stanislaw F.; Iwe akosile ti Kemistri Organic, (2002), 67 (6), 1816-1819, CAplus

(4) Szlenkier, Maurycy; Nucleosides, Nucleotides & Nucleic Acids, (2016), 35(8), 410-425, CAplus

(5) Marumoto, Ryuji; Takeda Kenkyusho Nenpo, (1967), 26, 21-3, CAplus

(6) Krizmanic, Irena; Tetrahedron, (2003), 59 (23), 4047-4057, CAplus

(7) Brown, DM; Iwe akosile ti Awujọ Kemikali, (1958), 3035-8, CAplus

(8) Li, Heting; Awọn ibaraẹnisọrọ sintetiki, (2006), 36 (14), 1933-1940, CAplus

(9) Codington, John F.; Iwe akosile ti American Chemical Society, (1961), 83, 5030-1, CAplus

Sipekitira esiperimenta

Spectra wa
1 H NMR
13 C NMR
IR
Spectra wa
Ibi

Awọn ohun-ini asọtẹlẹ

Awọn ohun-ini ti o wa
Ti ibi
Kemikali
iwuwo
Lipinski
Ilana Jẹmọ
Gbona

Ti ibi

Ohun ini Iye Ipo Orisun
Bioconcentration ifosiwewe 1.0 pH 1; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 1.0 pH 2; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 1.0 pH 3; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 1.0 pH 4; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 1.0 pH 5; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 1.0 pH 6; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 1.0 pH 7; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 1.0 pH 8; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 1.0 pH 9; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 1.0 pH 10; Iwọn otutu: 25 °C (1) ACD

(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Kemikali

Ohun ini Iye Ipo Orisun
Koc 7.66 pH 1; Iwọn otutu: 25 °C (1) ACD
Koc 7.66 pH 2; Iwọn otutu: 25 °C (1) ACD
Koc 7.66 pH 3; Iwọn otutu: 25 °C (1) ACD
Koc 7.66 pH 4; Iwọn otutu: 25 °C (1) ACD
Koc 7.66 pH 5; Iwọn otutu: 25 °C (1) ACD
Koc 7.66 pH 6; Iwọn otutu: 25 °C (1) ACD
Koc 7.66 pH 7; Iwọn otutu: 25 °C (1) ACD
Koc 7.66 pH 8; Iwọn otutu: 25 °C (1) ACD

 

Ohun ini Iye Ipo Orisun
Koc 7.66 pH 9; Iwọn otutu: 25 °C (1) ACD
Koc 7.64 pH 10; Iwọn otutu: 25 °C (1) ACD
logD -0.91 pH 1; Iwọn otutu: 25 °C (1) ACD
logD -0.91 pH 2; Iwọn otutu: 25 °C (1) ACD
logD -0.91 pH 3; Iwọn otutu: 25 °C (1) ACD
logD -0.91 pH 4; Iwọn otutu: 25 °C (1) ACD
logD -0.91 pH 5; Iwọn otutu: 25 °C (1) ACD
logD -0.91 pH 6; Iwọn otutu: 25 °C (1) ACD
logD -0.91 pH 7; Iwọn otutu: 25 °C (1) ACD
logD -0.91 pH 8; Iwọn otutu: 25 °C (1) ACD
logD -0.91 pH 9; Iwọn otutu: 25 °C (1) ACD
logD -0.91 pH 10; Iwọn otutu: 25 °C (1) ACD
logP -0.906 ± 0.555 Iwọn otutu: 25 °C (1) ACD
Ibi Isoju Agbekale 4.7 g/L Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 4.7 g/L pH 1; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 4.7 g/L pH 2; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 4.7 g/L pH 3; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 4.7 g/L pH 4; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 4.7 g/L pH 5; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 4.7 g/L pH 6; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 4.7 g/L pH 7; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 4.7 g/L pH 8; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 4.7 g/L pH 9; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 4.7 g/L pH 10; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 4.7 g/L Omi ti a ko fi silẹ pH 6.91; Iwọn otutu: 25 °C (1) ACD
Solubility Inu inu Molar 0.021 mol/L Iwọn otutu: 25 °C (1) ACD
Solubility Molar 0.021 mol/L pH 1; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 0.021 mol/L pH 2; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 0.021 mol/L pH 3; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 0.021 mol/L pH 4; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 0.021 mol/L pH 5; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 0.021 mol/L pH 6; Iwọn otutu: 25 °C (1) ACD

 

Ohun ini Iye Ipo Orisun
Solubility Molar 0.021 mol/L pH 7; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 0.021 mol/L pH 8; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 0.021 mol/L pH 9; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 0.021 mol/L pH 10; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 0.021 mol/L Omi ti a ko fi silẹ pH 6.91; Iwọn otutu: 25 °C (1) ACD
Òṣuwọn Molikula 226.19    
pKa 12.55 ± 0.40 Pupọ Epo otutu: 25 °C (1) ACD
pKa -4,68 ± 0,60 Pupọ Ipilẹ otutu: 25 °C (1) ACD
Oru Ipa 3.04 x 10-10 Torr Iwọn otutu: 25 °C (1) ACD

(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

iwuwo

Ohun ini Iye Ipo Orisun
iwuwo 2,01 ± 0,1 g / cm3 Iwọn otutu: 20 °C; Tẹ: 760 Torr (1) ACD
Iwọn didun Molar 112,3 ± 7,0 cm3 / mol Iwọn otutu: 20 °C; Tẹ: 760 Torr (1) ACD

(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Ohun ini Iye Ipo Orisun
Larọwọto Rotatable Bonds 3 (1) ACD
H Awọn olugba 7 (1) ACD
H Awọn oluranlọwọ 2 (1) ACD
H Oluranlọwọ / Olugba Apapọ 9 (1) ACD
logP -0.906 ± 0.555 Iwọn otutu: 25 °C (1) ACD
Òṣuwọn Molikula 226.19

(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Ilana Jẹmọ

Ohun ini Iye Orisun ipo
Pola dada Area 91.6 A2 (1) ACD

(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Gbona

Ohun ini Iye Ipo Orisun
Ojuami farabale 456,3 ± 55,0 °C Tẹ: 760 Torr (1) ACD

 

Ohun ini Iye Ipo Orisun
Enthalpy ti Vaporization 82,62 ± 6,0 kJ / mol Tẹ: 760 Torr (1) ACD
Oju filaṣi 229,8 ± 31,5 °C   (1) ACD

(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Spectra asọtẹlẹ

Spectra wa
1 H NMR
13 C NMR

GHS Ewu Gbólóhùn

Orisun Gbólóhùn Ewu koodu
H302 Ipalara ti o ba gbe Ile-iṣẹ Kemikali ti Yuroopu (ECHA) Isọdi& Aami aami

Oja - Isọdi iwifunni ati isamisi - awọn iwifunni ti o wọpọ julọ, Ile-iṣẹ Kemikali Yuroopu (ECHA)

Isọsọ-sọtọ&Oja Ifipamọ - Isọdi ti iwifunni ati isamisi - awọn iwifunni to ṣe pataki julọ


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