(1R,2S,3R,5R)-3-[2-amino-6-(methoxyamino)purin-9-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol

C12H18N6O4 — CID 10924939

IUPAC(1R,2S,3R,5R)-3-[2-amino-6-(methoxyamino)purin-9-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESCONc1nc(N)nc2c1ncn2[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H18N6O4/c1-22-17-10-7-11(16-12(13)15-10)18(4-14-7)6-2-5(3-19)8(20)9(6)21/h4-6,8-9,19-21H,2-3H2,1H3,(H3,13,15,16,17)/t5-,6-,8-,9+/m1/s1
InChIKeyZZMKNGRNBPZTFE-GCXDCGAKSA-N
MW310.31 g/mol
LogP-1.34
Rot. Bonds4

About (1R,2S,3R,5R)-3-[2-amino-6-(methoxyamino)purin-9-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol

(1R,2S,3R,5R)-3-[2-amino-6-(methoxyamino)purin-9-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol (PubChem CID 10924939) has the molecular formula C12H18N6O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-[2-amino-6-(methoxyamino)purin-9-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,5R)-3-[2-amino-6-(methoxyamino)purin-9-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol
PubChem CID10924939
Molecular FormulaC12H18N6O4
Molecular Weight310.31 g/mol
Exact Mass310.14
IUPAC Name(1R,2S,3R,5R)-3-[2-amino-6-(methoxyamino)purin-9-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESCONc1nc(N)nc2c1ncn2[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H18N6O4/c1-22-17-10-7-11(16-12(13)15-10)18(4-14-7)6-2-5(3-19)8(20)9(6)21/h4-6,8-9,19-21H,2-3H2,1H3,(H3,13,15,16,17)/t5-,6-,8-,9+/m1/s1
InChIKeyZZMKNGRNBPZTFE-GCXDCGAKSA-N
XLogP-1.34
TPSA151.57 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 5-1.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4R,5R)-5-[2-amino-6-(methoxyamino)purin-9-yl]-2-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 53231132
[(2R,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-6-oxabicyclo[3.1.0]hexan-2-yl]methanol
CID 170455114
(4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol
CID 54532575
4-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol;dihydrochloride
CID 77366835
(1S,2R,3R,5R)-5-[2-amino-6-(cyclopropylamino)purin-9-yl]-3-(hydroxymethyl)-1-methylcyclopentane-1,2-diol
CID 102392372
1-[2-(2-amino-6-chloropurin-9-yl)-4-(hydroxymethyl)cyclobutyl]propan-1-ol
CID 88503264
(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[6-(naphthalen-1-ylmethylamino)purin-9-yl]cyclopentane-1,2-diol
CID 134872340
3-(hydroxymethyl)-5-[6-[[(3S)-pyrrolidin-3-yl]amino]purin-9-yl]cyclopentane-1,2-diol;dihydrochloride
CID 70340122
(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[6-[2-methoxypropyl(methyl)amino]purin-9-yl]cyclopentane-1,2-diol
CID 166350710
[(1R,2R)-2-(2-amino-6-chloropurin-9-yl)cyclopentyl]methanol
CID 139633326
2-amino-9-[(1S,2S,3S,4S)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-purin-6-one
CID 135845086
(2R,3R,4S,5R)-2-(2-amino-6-hydrazinylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 24763775

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5R)-3-[2-amino-6-(methoxyamino)purin-9-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,5R)-3-[2-amino-6-(methoxyamino)purin-9-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol (CID 10924939) is (1R,2S,3R,5R)-3-[2-amino-6-(methoxyamino)purin-9-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,5R)-3-[2-amino-6-(methoxyamino)purin-9-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,5R)-3-[2-amino-6-(methoxyamino)purin-9-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol is CONc1nc(N)nc2c1ncn2[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of (1R,2S,3R,5R)-3-[2-amino-6-(methoxyamino)purin-9-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The InChIKey is ZZMKNGRNBPZTFE-GCXDCGAKSA-N. The full InChI is InChI=1S/C12H18N6O4/c1-22-17-10-7-11(16-12(13)15-10)18(4-14-7)6-2-5(3-19)8(20)9(6)21/h4-6,8-9,19-21H,2-3H2,1H3,(H3,13,15,16,17)/t5-,6-,8-,9+/m1/s1.
What are the key properties of (1R,2S,3R,5R)-3-[2-amino-6-(methoxyamino)purin-9-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol?
(1R,2S,3R,5R)-3-[2-amino-6-(methoxyamino)purin-9-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol has a molecular weight of 310.31 g/mol, XLogP of -1.34, 4 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5R)-3-[2-amino-6-(methoxyamino)purin-9-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 10924939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).