(2R,3S,5R)-5-[2-amino-6-(methoxyamino)purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol

C11H16N6O4 — CID 20591849

IUPAC(2R,3S,5R)-5-[2-amino-6-(methoxyamino)purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol
SMILESCONc1nc(N)nc2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c12
InChIInChI=1S/C11H16N6O4/c1-20-16-10-8-9(14-11(12)15-10)13-4-17(8)7-2-5(19)6(3-18)21-7/h4-7,18-19H,2-3H2,1H3,(H3,12,14,15,16)/t5-,6+,7+/m0/s1
InChIKeyCNPWPFGLFAYVAX-RRKCRQDMSA-N
MW296.29 g/mol
LogP-0.98
Rot. Bonds4

About (2R,3S,5R)-5-[2-amino-6-(methoxyamino)purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol

(2R,3S,5R)-5-[2-amino-6-(methoxyamino)purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 20591849) has the molecular formula C11H16N6O4 and a molecular weight of 296.29 g/mol. Its IUPAC name is (2R,3S,5R)-5-[2-amino-6-(methoxyamino)purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-5-[2-amino-6-(methoxyamino)purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol
PubChem CID20591849
Molecular FormulaC11H16N6O4
Molecular Weight296.29 g/mol
Exact Mass296.12
IUPAC Name(2R,3S,5R)-5-[2-amino-6-(methoxyamino)purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol
SMILESCONc1nc(N)nc2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c12
InChIInChI=1S/C11H16N6O4/c1-20-16-10-8-9(14-11(12)15-10)13-4-17(8)7-2-5(19)6(3-18)21-7/h4-7,18-19H,2-3H2,1H3,(H3,12,14,15,16)/t5-,6+,7+/m0/s1
InChIKeyCNPWPFGLFAYVAX-RRKCRQDMSA-N
XLogP-0.98
TPSA140.57 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154710689
(2R,3S,5S)-5-(2-aminopurin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 102301563
5-[2-amino-6-[(6-methyl-2-pyridinyl)methylsulfanyl]purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 54606657
(2R,3S)-5-(2,6-dichloropurin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 88905234
(2S,3S)-2-[2-amino-6-(methoxyamino)purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 57265073
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-1,3,5-triazin-2-one
CID 76973346
(2S,3R)-5-(2-amino-6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154723265
5-fluoro-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(methoxyamino)pyrimidin-2-one
CID 174063487
(2R,3S,5R)-5-(4-amino-7-methylimidazo[4,5-c]pyridin-3-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 10934328
(2R,3S,5R)-5-(6-amino-4-methoxypyrazolo[3,4-d]pyrimidin-2-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 14410745
6-amino-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one
CID 131850230
7-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135692532

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-[2-amino-6-(methoxyamino)purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5R)-5-[2-amino-6-(methoxyamino)purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol (CID 20591849) is (2R,3S,5R)-5-[2-amino-6-(methoxyamino)purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-5-[2-amino-6-(methoxyamino)purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-5-[2-amino-6-(methoxyamino)purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol is CONc1nc(N)nc2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c12.
What is the InChIKey of (2R,3S,5R)-5-[2-amino-6-(methoxyamino)purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is CNPWPFGLFAYVAX-RRKCRQDMSA-N. The full InChI is InChI=1S/C11H16N6O4/c1-20-16-10-8-9(14-11(12)15-10)13-4-17(8)7-2-5(19)6(3-18)21-7/h4-7,18-19H,2-3H2,1H3,(H3,12,14,15,16)/t5-,6+,7+/m0/s1.
What are the key properties of (2R,3S,5R)-5-[2-amino-6-(methoxyamino)purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S,5R)-5-[2-amino-6-(methoxyamino)purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 296.29 g/mol, XLogP of -0.98, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-[2-amino-6-(methoxyamino)purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 20591849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).