(2R,3R,4R,5R)-2-(6-amino-2-methoxypurin-9-yl)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol

C12H17N5O6 — CID 10471645

IUPAC(2R,3R,4R,5R)-2-(6-amino-2-methoxypurin-9-yl)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol
SMILESCOc1nc(N)c2ncn([C@@H]3O[C@H]([C@H](O)CO)[C@H](O)[C@H]3O)c2n1
InChIInChI=1S/C12H17N5O6/c1-22-12-15-9(13)5-10(16-12)17(3-14-5)11-7(21)6(20)8(23-11)4(19)2-18/h3-4,6-8,11,18-21H,2H2,1H3,(H2,13,15,16)/t4-,6-,7-,8-,11-/m1/s1
InChIKeyIEGSCXMTUHYXHX-IQUTXCMISA-N
MW327.30 g/mol
LogP-2.61
Rot. Bonds4

About (2R,3R,4R,5R)-2-(6-amino-2-methoxypurin-9-yl)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol

(2R,3R,4R,5R)-2-(6-amino-2-methoxypurin-9-yl)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol (PubChem CID 10471645) has the molecular formula C12H17N5O6 and a molecular weight of 327.30 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-(6-amino-2-methoxypurin-9-yl)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-(6-amino-2-methoxypurin-9-yl)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol
PubChem CID10471645
Molecular FormulaC12H17N5O6
Molecular Weight327.30 g/mol
Exact Mass327.12
IUPAC Name(2R,3R,4R,5R)-2-(6-amino-2-methoxypurin-9-yl)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol
SMILESCOc1nc(N)c2ncn([C@@H]3O[C@H]([C@H](O)CO)[C@H](O)[C@H]3O)c2n1
InChIInChI=1S/C12H17N5O6/c1-22-12-15-9(13)5-10(16-12)17(3-14-5)11-7(21)6(20)8(23-11)4(19)2-18/h3-4,6-8,11,18-21H,2H2,1H3,(H2,13,15,16)/t4-,6-,7-,8-,11-/m1/s1
InChIKeyIEGSCXMTUHYXHX-IQUTXCMISA-N
XLogP-2.61
TPSA169.00 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.30
LogP ≤ 5-2.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze (2R,3R,4R,5R)-2-(6-amino-2-methoxypurin-9-yl)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol with MolForge

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Related Compounds

(2R,4R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-propan-2-yloxolane-3,4-diol
CID 160993196
[[(2R,3S,4R,5R)-5-(6-amino-2-methoxypurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 175500788
(2R,5R)-2-[6-amino-2-(tert-butylamino)oxypurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 91141880
(2R,5R)-2-[6-amino-2-(2-phenylpropoxy)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 67868540
(2R,3R,4S,5R)-2-(6-amino-2-propoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;bicyclo[2.2.1]heptane
CID 121486738
(2R,5R)-2-(2,6-diaminopurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol
CID 69050482
(3R,4S,5R)-2-[6-amino-2-[2-(2-methoxyphenyl)ethoxy]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 46876732
(2R,3R,4S,5R)-2-[6-amino-2-(4-methylcyclohexyl)oxypurin-9-yl]-5-methyloxolane-3,4-diol
CID 56670160
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[(1S)-1-hydroxyethyl]oxolane-3,4-diol
CID 15612716
(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(1-sulfanylpropyl)oxolane-3,4-diol
CID 54190957
2-(6-amino-2-cyclohexyloxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 14842853
(2R,3R,4S,5R)-2-[6-amino-2-(4-methoxyphenyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 10067935

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-(6-amino-2-methoxypurin-9-yl)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-2-(6-amino-2-methoxypurin-9-yl)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol (CID 10471645) is (2R,3R,4R,5R)-2-(6-amino-2-methoxypurin-9-yl)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-2-(6-amino-2-methoxypurin-9-yl)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-2-(6-amino-2-methoxypurin-9-yl)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol is COc1nc(N)c2ncn([C@@H]3O[C@H]([C@H](O)CO)[C@H](O)[C@H]3O)c2n1.
What is the InChIKey of (2R,3R,4R,5R)-2-(6-amino-2-methoxypurin-9-yl)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol?
The InChIKey is IEGSCXMTUHYXHX-IQUTXCMISA-N. The full InChI is InChI=1S/C12H17N5O6/c1-22-12-15-9(13)5-10(16-12)17(3-14-5)11-7(21)6(20)8(23-11)4(19)2-18/h3-4,6-8,11,18-21H,2H2,1H3,(H2,13,15,16)/t4-,6-,7-,8-,11-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2-(6-amino-2-methoxypurin-9-yl)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol?
(2R,3R,4R,5R)-2-(6-amino-2-methoxypurin-9-yl)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol has a molecular weight of 327.30 g/mol, XLogP of -2.61, 4 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-(6-amino-2-methoxypurin-9-yl)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol is sourced from PubChem (CID 10471645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).