(2S,3S,4R,5R)-2-(hydroxymethyl)-5-(6-methylpurin-9-yl)oxolane-3,4-diol

C11H14N4O4 — CID 67394311

IUPAC(2S,3S,4R,5R)-2-(hydroxymethyl)-5-(6-methylpurin-9-yl)oxolane-3,4-diol
SMILESCc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H14N4O4/c1-5-7-10(13-3-12-5)15(4-14-7)11-9(18)8(17)6(2-16)19-11/h3-4,6,8-9,11,16-18H,2H2,1H3/t6-,8+,9+,11+/m0/s1
InChIKeyFIGBCBGMUIGJBD-YXYNTAJPSA-N
MW266.26 g/mol
LogP-1.25
Rot. Bonds2

About (2S,3S,4R,5R)-2-(hydroxymethyl)-5-(6-methylpurin-9-yl)oxolane-3,4-diol

(2S,3S,4R,5R)-2-(hydroxymethyl)-5-(6-methylpurin-9-yl)oxolane-3,4-diol (PubChem CID 67394311) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is (2S,3S,4R,5R)-2-(hydroxymethyl)-5-(6-methylpurin-9-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4R,5R)-2-(hydroxymethyl)-5-(6-methylpurin-9-yl)oxolane-3,4-diol
PubChem CID67394311
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name(2S,3S,4R,5R)-2-(hydroxymethyl)-5-(6-methylpurin-9-yl)oxolane-3,4-diol
SMILESCc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H14N4O4/c1-5-7-10(13-3-12-5)15(4-14-7)11-9(18)8(17)6(2-16)19-11/h3-4,6,8-9,11,16-18H,2H2,1H3/t6-,8+,9+,11+/m0/s1
InChIKeyFIGBCBGMUIGJBD-YXYNTAJPSA-N
XLogP-1.25
TPSA113.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-2-(hydroxymethyl)-5-(6-methylpurin-9-yl)oxolane-3,4-diol?
The IUPAC name of (2S,3S,4R,5R)-2-(hydroxymethyl)-5-(6-methylpurin-9-yl)oxolane-3,4-diol (CID 67394311) is (2S,3S,4R,5R)-2-(hydroxymethyl)-5-(6-methylpurin-9-yl)oxolane-3,4-diol.
What is the SMILES notation for (2S,3S,4R,5R)-2-(hydroxymethyl)-5-(6-methylpurin-9-yl)oxolane-3,4-diol?
The canonical SMILES for (2S,3S,4R,5R)-2-(hydroxymethyl)-5-(6-methylpurin-9-yl)oxolane-3,4-diol is Cc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of (2S,3S,4R,5R)-2-(hydroxymethyl)-5-(6-methylpurin-9-yl)oxolane-3,4-diol?
The InChIKey is FIGBCBGMUIGJBD-YXYNTAJPSA-N. The full InChI is InChI=1S/C11H14N4O4/c1-5-7-10(13-3-12-5)15(4-14-7)11-9(18)8(17)6(2-16)19-11/h3-4,6,8-9,11,16-18H,2H2,1H3/t6-,8+,9+,11+/m0/s1.
What are the key properties of (2S,3S,4R,5R)-2-(hydroxymethyl)-5-(6-methylpurin-9-yl)oxolane-3,4-diol?
(2S,3S,4R,5R)-2-(hydroxymethyl)-5-(6-methylpurin-9-yl)oxolane-3,4-diol has a molecular weight of 266.26 g/mol, XLogP of -1.25, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-2-(hydroxymethyl)-5-(6-methylpurin-9-yl)oxolane-3,4-diol is sourced from PubChem (CID 67394311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).