(3R,4S,5R)-2-[(2-amino-7H-purin-6-yl)oxy]-5-(hydroxymethyl)oxolane-3,4-diol

C10H13N5O5 — CID 70268377

IUPAC(3R,4S,5R)-2-[(2-amino-7H-purin-6-yl)oxy]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNc1nc(OC2O[C@H](CO)[C@@H](O)[C@H]2O)c2[nH]cnc2n1
InChIInChI=1S/C10H13N5O5/c11-10-14-7-4(12-2-13-7)8(15-10)20-9-6(18)5(17)3(1-16)19-9/h2-3,5-6,9,16-18H,1H2,(H3,11,12,13,14,15)/t3-,5-,6-,9?/m1/s1
InChIKeyFFAVMFCPQHGMGV-LZGMGDPASA-N
MW283.24 g/mol
LogP-2.25
Rot. Bonds3

About (3R,4S,5R)-2-[(2-amino-7H-purin-6-yl)oxy]-5-(hydroxymethyl)oxolane-3,4-diol

(3R,4S,5R)-2-[(2-amino-7H-purin-6-yl)oxy]-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 70268377) has the molecular formula C10H13N5O5 and a molecular weight of 283.24 g/mol. Its IUPAC name is (3R,4S,5R)-2-[(2-amino-7H-purin-6-yl)oxy]-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(3R,4S,5R)-2-[(2-amino-7H-purin-6-yl)oxy]-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID70268377
Molecular FormulaC10H13N5O5
Molecular Weight283.24 g/mol
Exact Mass283.09
IUPAC Name(3R,4S,5R)-2-[(2-amino-7H-purin-6-yl)oxy]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNc1nc(OC2O[C@H](CO)[C@@H](O)[C@H]2O)c2[nH]cnc2n1
InChIInChI=1S/C10H13N5O5/c11-10-14-7-4(12-2-13-7)8(15-10)20-9-6(18)5(17)3(1-16)19-9/h2-3,5-6,9,16-18H,1H2,(H3,11,12,13,14,15)/t3-,5-,6-,9?/m1/s1
InChIKeyFFAVMFCPQHGMGV-LZGMGDPASA-N
XLogP-2.25
TPSA159.63 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 5-2.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze (3R,4S,5R)-2-[(2-amino-7H-purin-6-yl)oxy]-5-(hydroxymethyl)oxolane-3,4-diol with MolForge

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Related Compounds

(3S,4S,5R)-2-[(2-chloro-7H-purin-6-yl)oxy]-5-(hydroxymethyl)oxolane-3,4-diol
CID 54050575
(2S,3R,4S,5S)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 54431924
(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;7H-purin-2-amine
CID 175258661
5-[(2-amino-7H-purin-6-yl)oxy]pentan-1-ol
CID 114216836
2-(2-amino-6-aminooxypurin-9-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 143758641
(3S,4S,5R)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol;phosphoric acid
CID 23624109
6-(2,2-difluoroethoxy)-7H-purin-2-amine
CID 114787974
(2-amino-7H-purin-6-yl)methanol
CID 11593490
(2S,3S,4S,5R)-2-(4-aminophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 66509217
(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(7H-purin-6-ylamino)oxane-3,4,5-triol
CID 70184570
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol
CID 91598575
[[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-(6-oxo-1,7-dihydropurin-2-yl)amino]phosphonic acid
CID 137191377

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-2-[(2-amino-7H-purin-6-yl)oxy]-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (3R,4S,5R)-2-[(2-amino-7H-purin-6-yl)oxy]-5-(hydroxymethyl)oxolane-3,4-diol (CID 70268377) is (3R,4S,5R)-2-[(2-amino-7H-purin-6-yl)oxy]-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (3R,4S,5R)-2-[(2-amino-7H-purin-6-yl)oxy]-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (3R,4S,5R)-2-[(2-amino-7H-purin-6-yl)oxy]-5-(hydroxymethyl)oxolane-3,4-diol is Nc1nc(OC2O[C@H](CO)[C@@H](O)[C@H]2O)c2[nH]cnc2n1.
What is the InChIKey of (3R,4S,5R)-2-[(2-amino-7H-purin-6-yl)oxy]-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is FFAVMFCPQHGMGV-LZGMGDPASA-N. The full InChI is InChI=1S/C10H13N5O5/c11-10-14-7-4(12-2-13-7)8(15-10)20-9-6(18)5(17)3(1-16)19-9/h2-3,5-6,9,16-18H,1H2,(H3,11,12,13,14,15)/t3-,5-,6-,9?/m1/s1.
What are the key properties of (3R,4S,5R)-2-[(2-amino-7H-purin-6-yl)oxy]-5-(hydroxymethyl)oxolane-3,4-diol?
(3R,4S,5R)-2-[(2-amino-7H-purin-6-yl)oxy]-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 283.24 g/mol, XLogP of -2.25, 3 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-2-[(2-amino-7H-purin-6-yl)oxy]-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 70268377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).