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)

huahana

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)

ʻIke kumu:


Huahana Huahana

Huahana Huahana

Mea kiko'ī

Helu Kakau CAS

22423-26-3

Na Waiwai Kino Nui Waiwai Kūlana
Kaumaha Molekala 240.21 -
Lae hehee (Hoʻokolohua) 218 °C Solvent: Ethanol; Isopropanol
Lae paila (Wanamua) 452.0±55.0 °C Paʻi: 760 Torr
ʻAiʻa (Wanamua) 1.88±0.1 g/cm3 Ka mahana: 20 °C; Paʻi: 760 Torr
pKa (Wanamua) 12.56±0.60 ʻO ka Mahaʻawaʻawa loa: 25 °C

Nā inoa a me nā mea ʻike ʻē aʻe

KANAKA MANAKA

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

NĀ ʻAʻO ʻIsomeric

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

InChI Ki

WLLOAUCNUMYOQI-JAGXHNFQSA-N

17 Nā inoa ʻē aʻe no kēia mea

(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-one (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 PAGE: 18 i koi ʻia DNA; 12: PN: US20040005565 PAGE: 17- 22 i koi ʻia DNA; 12: PN: US20040005570 PAGE: 18 i koi ʻia ʻo DNA; 12: PN: US20040006029 PAGE: 21 i koi ʻia DNA; 12: PN: US20040014051 PAGE: 21 i koi ʻia DNA; 1: PN: WO20050 06958 PAGE: 59 i koi ʻia DNA; 2,2′ -Anhydro(1- β -D-arabinofuranosyl)- 5-methyluracil; 3: PN: WO2005007825 PAGE: 59 i ʻōlelo ʻia he DNA; 84: PN: US20040005707 ʻAoʻao: 18 i koi ʻia DNA; 9: PN: US20040014048 ʻAoʻao: 19 i koi ʻia DNA; 9: PN: US20040014049 ʻAoʻao: 19

ʻōlelo ʻia ʻo DNA;O2,2′ -Anhydro-5-methyluridine; O2,2′ -Anhydro-5-methyluridine; TK 112690

Na Waiwai Hoao

Loaʻa nā waiwai
Māmā

Māmā

Waiwai Waiwai Kūlana Puna
Lae hehee 240-242 °C (1) CAS
Lae hehee 218 °C Solvent: Ethanol; Isopropanol (2) CAS
Lae hehee E nana i ke kikokikona piha (3) CAS
Lae hehee E nana i ke kikokikona piha (4) CAS

(1) Oliveira, Maralise P.; Nūpepa o ka Hui Kemimi Palakila, (2015), 26(4), 816-821, CAplus

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

(3) Manoharan, Muthiah; US20030088079, A1, 2003, CAplus

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

Spectra hoʻokolohua

Loaʻa ka Spectra
1 H NMR
13 C NMR
Hetero NMR
Mass

Waiwai wānana

Loaʻa nā waiwai
olaola
Kemika
ʻO ka mānoanoa
Lipinski
Kapili Pili
Māmā

olaola

Waiwai Waiwai Kūlana Puna
ʻO ke kumu bioconcentration 1.0 pH 1; Maha: 25 °C (1) ACD
ʻO ke kumu bioconcentration 1.0 pH 2; Maha: 25 °C (1) ACD
ʻO ke kumu bioconcentration 1.0 pH 3; Maha: 25 °C (1) ACD
ʻO ke kumu bioconcentration 1.0 pH 4; Maha: 25 °C (1) ACD
ʻO ke kumu bioconcentration 1.0 pH 5; Maha: 25 °C (1) ACD
ʻO ke kumu bioconcentration 1.0 pH 6; Maha: 25 °C (1) ACD
ʻO ke kumu bioconcentration 1.0 pH 7; Maha: 25 °C (1) ACD
ʻO ke kumu bioconcentration 1.0 pH 8; Maha: 25 °C (1) ACD
ʻO ke kumu bioconcentration 1.0 pH 9; Maha: 25 °C (1) ACD
ʻO ke kumu bioconcentration 1.0 pH 10; Maha: 25 °C (1) ACD

(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)

Kemika

Waiwai Waiwai Kūlana Puna
Koc 12.9 pH 1; Maha: 25 °C (1) ACD
Koc 12.9 pH 2; Maha: 25 °C (1) ACD
Koc 12.9 pH 3; Maha: 25 °C (1) ACD
Koc 12.9 pH 4; Maha: 25 °C (1) ACD
Koc 12.9 pH 5; Maha: 25 °C (1) ACD
Koc 12.9 pH 6; Maha: 25 °C (1) ACD
Koc 12.9 pH 7; Maha: 25 °C (1) ACD
Koc 12.9 pH 8; Maha: 25 °C (1) ACD
Koc 12.9 pH 9; Maha: 25 °C (1) ACD
Koc 12.9 pH 10; Maha: 25 °C (1) ACD
logD -0.49 pH 1; Maha: 25 °C (1) ACD
logD -0.49 pH 2; Maha: 25 °C (1) ACD
logD -0.49 pH 3; Maha: 25 °C (1) ACD
logD -0.49 pH 4; Maha: 25 °C (1) ACD
logD -0.49 pH 5; Maha: 25 °C (1) ACD
logD -0.49 pH 6; Maha: 25 °C (1) ACD
logD -0.49 pH 7; Maha: 25 °C (1) ACD
logD -0.49 pH 8; Maha: 25 °C (1) ACD
logD -0.49 pH 9; Maha: 25 °C (1) ACD
logD -0.49 pH 10; Maha: 25 °C (1) ACD

 

Waiwai Waiwai Kūlana Puna
logP -0.491±0.556 Maha: 25 °C (1) ACD
Hoʻoheheʻe i loko o ka nui 3.1 g/L Maha: 25 °C (1) ACD
Ka hoʻoheheʻe nui 3.1 g/L pH 1; Maha: 25 °C (1) ACD
Ka hoʻoheheʻe nui 3.1 g/L pH 2; Maha: 25 °C (1) ACD
Ka hoʻoheheʻe nui 3.1 g/L pH 3; Maha: 25 °C (1) ACD
Ka hoʻoheheʻe nui 3.1 g/L pH 4; Maha: 25 °C (1) ACD
Ka hoʻoheheʻe nui 3.1 g/L pH 5; Maha: 25 °C (1) ACD
Ka hoʻoheheʻe nui 3.1 g/L pH 6; Maha: 25 °C (1) ACD
Ka hoʻoheheʻe nui 3.1 g/L pH 7; Maha: 25 °C (1) ACD
Ka hoʻoheheʻe nui 3.1 g/L pH 8; Maha: 25 °C (1) ACD
Ka hoʻoheheʻe nui 3.1 g/L pH 9; Maha: 25 °C (1) ACD
Ka hoʻoheheʻe nui 3.1 g/L pH 10; Maha: 25 °C (1) ACD
Ka hoʻoheheʻe nui 3.1 g/L Wai hoʻopaʻa ʻole pH 6.94; Maha: 25 °C (1) ACD
Molar Intrinsic Solubility 0.013 mol/L Maha: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 1; Maha: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 2; Maha: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 3; Maha: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 4; Maha: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 5; Maha: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 6; Maha: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 7; Maha: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 8; Maha: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 9; Maha: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 10; Maha: 25 °C (1) ACD
Molar Solubility 0.013 mol/L Wai hoʻopaʻa ʻole pH 6.94; Maha: 25 °C (1) ACD
Kaumaha Molekala 240.21    
pKa 12.56±0.60 ʻO ka Mahaʻawaʻawa loa: 25 °C (1) ACD
pKa -4.36±0.60 ʻO ka mahana kumu loa: 25 °C (1) ACD
ʻO ke kaomi mahu 4.54 x 10-10 Torr Maha: 25 °C (1) ACD

(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)

Waiwai Waiwai Kūlana Puna
ʻO ka mānoanoa 1.88±0.1 g/cm3 Ka mahana: 20 °C; Paʻi: 760 Torr (1) ACD
Mola Volume 127.5±7.0 cm3/mol Ka mahana: 20 °C; Paʻi: 760 Torr (1) ACD

(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Waiwai Waiwai Kūlana Puna
Nā Paʻa Hoʻololi Kūʻokoʻa 3   (1) ACD
H Ka poe e ae 7   (1) ACD
H Kokua 2   (1) ACD
H Hāʻawi/Acceptor Sum 9   (1) ACD
logP -0.491±0.556 Maha: 25 °C (1) ACD
Kaumaha Molekala 240.21    

(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)

Kapili Pili

Waiwai Waiwai Kumu Kūlana
Wahi Polar 91.6 A2 (1) ACD

(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)

Māmā

Waiwai Waiwai Kūlana Puna
Lae paila 452.0±55.0 °C Paʻi: 760 Torr (1) ACD
Enthalpy of Vaporization 82.04±6.0 kJ/mol Paʻi: 760 Torr (1) ACD
Lae Flash 227.2±31.5 °C   (1) ACD

(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)

Huakaʻi Spectra

Loaʻa ka Spectra ⁿ
1 H NMR
13 C NMR


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