C10H12N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- 7-methyl-, (2R,3 R,3aS,9aR)- (9CI, ACI)

bidhaa

C10H12N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- 7-methyl-, (2R,3 R,3aS,9aR)- (9CI, ACI)

Taarifa za Msingi:


Maelezo ya Bidhaa

Lebo za Bidhaa

Maelezo ya Dawa

Nambari ya Usajili ya CAS

22423-26-3

Sifa Muhimu za Kimwili Thamani Hali
Uzito wa Masi 240.21 -
Kiwango Myeyuko (Majaribio) 218 °C Kutengenezea: Ethanoli; Isopropanoli
Kiwango cha Kuchemka (Iliyotabiriwa) 452.0±55.0 °C Bonyeza: 760 Torr
Msongamano (Uliotabiriwa) 1.88±0.1 g/cm3 Joto: 20 ° C; Bonyeza: 760 Torr
pKa (Iliyotabiriwa) 12.56±0.60 Halijoto ya Asidi Zaidi: 25 °C

Majina Mengine na Vitambulisho

TABASAMU za Kikanuni

O=C1N=C2OC3C(O)C(OC3N2C=C1C)CO

Isomeric TABASAMU

O[C@H]1[C@]2([C@](N3C(O2)= NC(=O)C(C)=C3)(O[C@@H]1CO)[H])[ H]

InChI

InChI= 1S/C10H12N2O5/c1-4-2-12-9-7(6(14)5(3-13)16-9)17-10(12)11-8(4)15/h2,5- 7,9,13-14H,3H2,1H3/t5-,6-,7+,9-/m1/s1

Ufunguo wa InChi

WLLOAUCNUMYOQI-JAGXHNFQSA-N

17 Majina Mengine ya Dawa hii

(2R,3 R,3aS,9aR)-2,3,3a,9a-Tetrahydro-3-hydroxy-2-(hydroxymethyl)-7-methyl-6H-furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-moja (ACI);

6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-7-methyl- (6CI, 7CI, 8CI); 6H-Furo

[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-7-methyl-, [2R-(2α,3β,3aβ,9aβ)]- (ZCI);

11: PN: US20040014699 UKURASA: 18 walidai DNA; 12: PN: US20040005565 UKURASA: 17- 22 alidai DNA; 12: PN: US20040005570 UKURASA: 18 walidai DNA; 12: PN: US20040006029 UKURASA: 21 walidai DNA; 12: PN: US20040014051 UKURASA: 21 walidai DNA; 1: PN: WO20050 06958 UKURASA: 59 walidai DNA; 2,2′ -Anhydro(1- β -D-arabinofuranosyl)- 5-methyluracil; 3: PN: WO2005007825 UKURASA: 59 walidai DNA; 84: PN: US20040005707 UKURASA: 18 walidai DNA; 9: PN: US20040014048 UKURASA: 19 walidai DNA; 9: PN: US20040014049 UKURASA: 19

DNA iliyodaiwa;O2,2′ -Anhydro-5-methyluridine; O2,2′ -Anhydro-5-methyluridine; TK 112690

Sifa za Majaribio

Mali zinazopatikana
Joto

Joto

Mali Thamani Hali Chanzo
Kiwango Myeyuko 240-242 °C (1) CAS
Kiwango Myeyuko 218 °C Kutengenezea: Ethanoli; Isopropanoli (2) CAS
Kiwango Myeyuko Tazama Maandishi Kamili (3) CAS
Kiwango Myeyuko Tazama Maandishi Kamili (4) CAS

(1) Oliveira, Maralise P.; Jarida la Jumuiya ya Kemikali ya Brazili, (2015), 26(4), 816-821, CAPlus

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

(3) Manoharani, Muthiah; US20030088079, A1, 2003, CAPlus

(4) Miraglia, Loren J.; WO2003048315, A2, 2003, CAPlus

Spectra ya Majaribio

Spectra inapatikana
1 H NMR
13 C NMR
Hetero NMR
Misa

Mali Zilizotabiriwa

Mali zinazopatikana
Kibiolojia
Kemikali
Msongamano
Lipinski
Kuhusiana na Muundo
Joto

Kibiolojia

Mali Thamani Hali Chanzo
Kipengele cha Mkusanyiko wa Kibiolojia 1.0 pH 1; Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 1.0 pH 2; Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 1.0 pH 3; Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 1.0 pH 4; Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 1.0 pH 5; Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 1.0 pH 6; Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 1.0 pH 7; Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 1.0 pH 8; Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 1.0 pH 9; Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 1.0 pH 10; Joto: 25 °C (1) ACD

(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)

Kemikali

Mali Thamani Hali Chanzo
Koc 12.9 pH 1; Joto: 25 °C (1) ACD
Koc 12.9 pH 2; Joto: 25 °C (1) ACD
Koc 12.9 pH 3; Joto: 25 °C (1) ACD
Koc 12.9 pH 4; Joto: 25 °C (1) ACD
Koc 12.9 pH 5; Joto: 25 °C (1) ACD
Koc 12.9 pH 6; Joto: 25 °C (1) ACD
Koc 12.9 pH 7; Joto: 25 °C (1) ACD
Koc 12.9 pH 8; Joto: 25 °C (1) ACD
Koc 12.9 pH 9; Joto: 25 °C (1) ACD
Koc 12.9 pH 10; Joto: 25 °C (1) ACD
logD -0.49 pH 1; Joto: 25 °C (1) ACD
logD -0.49 pH 2; Joto: 25 °C (1) ACD
logD -0.49 pH 3; Joto: 25 °C (1) ACD
logD -0.49 pH 4; Joto: 25 °C (1) ACD
logD -0.49 pH 5; Joto: 25 °C (1) ACD
logD -0.49 pH 6; Joto: 25 °C (1) ACD
logD -0.49 pH 7; Joto: 25 °C (1) ACD
logD -0.49 pH 8; Joto: 25 °C (1) ACD
logD -0.49 pH 9; Joto: 25 °C (1) ACD
logD -0.49 pH 10; Joto: 25 °C (1) ACD

 

Mali Thamani Hali Chanzo
logP -0.491±0.556 Joto: 25 °C (1) ACD
Umumunyifu wa Ndani wa Misa 3.1 g/L Joto: 25 °C (1) ACD
Umumunyifu wa Misa 3.1 g/L pH 1; Joto: 25 °C (1) ACD
Umumunyifu wa Misa 3.1 g/L pH 2; Joto: 25 °C (1) ACD
Umumunyifu wa Misa 3.1 g/L pH 3; Joto: 25 °C (1) ACD
Umumunyifu wa Misa 3.1 g/L pH 4; Joto: 25 °C (1) ACD
Umumunyifu wa Misa 3.1 g/L pH 5; Joto: 25 °C (1) ACD
Umumunyifu wa Misa 3.1 g/L pH 6; Joto: 25 °C (1) ACD
Umumunyifu wa Misa 3.1 g/L pH 7; Joto: 25 °C (1) ACD
Umumunyifu wa Misa 3.1 g/L pH 8; Joto: 25 °C (1) ACD
Umumunyifu wa Misa 3.1 g/L pH 9; Joto: 25 °C (1) ACD
Umumunyifu wa Misa 3.1 g/L pH 10; Joto: 25 °C (1) ACD
Umumunyifu wa Misa 3.1 g/L Maji yasio na buffered pH 6.94; Joto: 25 °C (1) ACD
Umumunyifu wa Ndani wa Molar 0.013 mol/L Joto: 25 °C (1) ACD
Umumunyifu wa Molar 0.013 mol/L pH 1; Joto: 25 °C (1) ACD
Umumunyifu wa Molar 0.013 mol/L pH 2; Joto: 25 °C (1) ACD
Umumunyifu wa Molar 0.013 mol/L pH 3; Joto: 25 °C (1) ACD
Umumunyifu wa Molar 0.013 mol/L pH 4; Joto: 25 °C (1) ACD
Umumunyifu wa Molar 0.013 mol/L pH 5; Joto: 25 °C (1) ACD
Umumunyifu wa Molar 0.013 mol/L pH 6; Joto: 25 °C (1) ACD
Umumunyifu wa Molar 0.013 mol/L pH 7; Joto: 25 °C (1) ACD
Umumunyifu wa Molar 0.013 mol/L pH 8; Joto: 25 °C (1) ACD
Umumunyifu wa Molar 0.013 mol/L pH 9; Joto: 25 °C (1) ACD
Umumunyifu wa Molar 0.013 mol/L pH 10; Joto: 25 °C (1) ACD
Umumunyifu wa Molar 0.013 mol/L Maji yasio na buffered pH 6.94; Joto: 25 °C (1) ACD
Uzito wa Masi 240.21    
pKa 12.56±0.60 Halijoto ya Asidi Zaidi: 25 °C (1) ACD
pKa -4.36±0.60 Joto la Msingi Zaidi: 25 °C (1) ACD
Shinikizo la Mvuke 4.54 x 10-10 Torr Joto: 25 °C (1) ACD

(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)

Mali Thamani Hali Chanzo
Msongamano 1.88±0.1 g/cm3 Joto: 20 ° C; Bonyeza: 760 Torr (1) ACD
Kiasi cha Molar 127.5±7.0 cm3/mol Joto: 20 ° C; Bonyeza: 760 Torr (1) ACD

(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Mali Thamani Hali Chanzo
Vifungo vinavyoweza kuzungushwa kwa Uhuru 3   (1) ACD
H Wapokeaji 7   (1) ACD
H Wafadhili 2   (1) ACD
H Jumla ya Mfadhili/Mpokeaji 9   (1) ACD
logP -0.491±0.556 Joto: 25 °C (1) ACD
Uzito wa Masi 240.21    

(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)

Kuhusiana na Muundo

Mali Thamani Chanzo cha Hali
Eneo la Uso wa Polar 91.6 A2 (1) ACD

(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)

Joto

Mali Thamani Hali Chanzo
Kiwango cha kuchemsha 452.0±55.0 °C Bonyeza: 760 Torr (1) ACD
Enthalpy ya vaporization 82.04±6.0 kJ/mol Bonyeza: 760 Torr (1) ACD
Kiwango cha Kiwango 227.2±31.5 °C   (1) ACD

(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)

Spectra iliyotabiriwa

Spectra inapatikana ⁿ
1 H NMR
13 C NMR


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