(2S,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxan-3-ol

C11H15N5O3 — CID 10611714

IUPAC(2S,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxan-3-ol
SMILESNc1ncnc2c1ncn2[C@H]1CO[C@@H](CO)[C@H](O)C1
InChIInChI=1S/C11H15N5O3/c12-10-9-11(14-4-13-10)16(5-15-9)6-1-7(18)8(2-17)19-3-6/h4-8,17-18H,1-3H2,(H2,12,13,14)/t6-,7-,8+/m1/s1
InChIKeyFVSBOJWVDIPQPA-PRJMDXOYSA-N
MW265.27 g/mol
LogP-0.91
Rot. Bonds2

About (2S,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxan-3-ol

(2S,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxan-3-ol (PubChem CID 10611714) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is (2S,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxan-3-ol.

Molecular Properties

Compound Name(2S,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxan-3-ol
PubChem CID10611714
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name(2S,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxan-3-ol
SMILESNc1ncnc2c1ncn2[C@H]1CO[C@@H](CO)[C@H](O)C1
InChIInChI=1S/C11H15N5O3/c12-10-9-11(14-4-13-10)16(5-15-9)6-1-7(18)8(2-17)19-3-6/h4-8,17-18H,1-3H2,(H2,12,13,14)/t6-,7-,8+/m1/s1
InChIKeyFVSBOJWVDIPQPA-PRJMDXOYSA-N
XLogP-0.91
TPSA119.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(2R,3R,4R)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 11425245
(2R,3S,5S)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxan-3-ol
CID 10612692
(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxane-3,4-diol
CID 10660443
(2S,3R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 125344325
(2S,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 7059421
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)(313C)oxolan-3-ol;hydrate
CID 165412978
(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxan-3-ol
CID 11460257
(3S,5R,7S)-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxepane-3,4,5-triol
CID 173496028
(2R,3S,4S,5S)-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxepane-3,4,5-triol
CID 143417477
9-[(3S,5S,6R)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]-1H-purin-6-one
CID 135511845
(2R,3S,4S,6R)-6-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxane-3,4-diol
CID 21139829
(2S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 163837057

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxan-3-ol?
The IUPAC name of (2S,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxan-3-ol (CID 10611714) is (2S,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxan-3-ol.
What is the SMILES notation for (2S,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxan-3-ol?
The canonical SMILES for (2S,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxan-3-ol is Nc1ncnc2c1ncn2[C@H]1CO[C@@H](CO)[C@H](O)C1.
What is the InChIKey of (2S,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxan-3-ol?
The InChIKey is FVSBOJWVDIPQPA-PRJMDXOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c12-10-9-11(14-4-13-10)16(5-15-9)6-1-7(18)8(2-17)19-3-6/h4-8,17-18H,1-3H2,(H2,12,13,14)/t6-,7-,8+/m1/s1.
What are the key properties of (2S,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxan-3-ol?
(2S,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxan-3-ol has a molecular weight of 265.27 g/mol, XLogP of -0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxan-3-ol is sourced from PubChem (CID 10611714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).