(2S,5R)-2-(8-phenylpurin-7-yl)oxane-2,5-diol

C16H16N4O3 — CID 155536011

IUPAC(2S,5R)-2-(8-phenylpurin-7-yl)oxane-2,5-diol
SMILESO[C@@H]1CC[C@@](O)(n2c(-c3ccccc3)nc3ncncc32)OC1
InChIInChI=1S/C16H16N4O3/c21-12-6-7-16(22,23-9-12)20-13-8-17-10-18-14(13)19-15(20)11-4-2-1-3-5-11/h1-5,8,10,12,21-22H,6-7,9H2/t12-,16+/m1/s1
InChIKeyHDBIWXPAOQWNSG-WBMJQRKESA-N
MW312.33 g/mol
LogP1.27
Rot. Bonds2

About (2S,5R)-2-(8-phenylpurin-7-yl)oxane-2,5-diol

(2S,5R)-2-(8-phenylpurin-7-yl)oxane-2,5-diol (PubChem CID 155536011) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is (2S,5R)-2-(8-phenylpurin-7-yl)oxane-2,5-diol.

Molecular Properties

Compound Name(2S,5R)-2-(8-phenylpurin-7-yl)oxane-2,5-diol
PubChem CID155536011
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name(2S,5R)-2-(8-phenylpurin-7-yl)oxane-2,5-diol
SMILESO[C@@H]1CC[C@@](O)(n2c(-c3ccccc3)nc3ncncc32)OC1
InChIInChI=1S/C16H16N4O3/c21-12-6-7-16(22,23-9-12)20-13-8-17-10-18-14(13)19-15(20)11-4-2-1-3-5-11/h1-5,8,10,12,21-22H,6-7,9H2/t12-,16+/m1/s1
InChIKeyHDBIWXPAOQWNSG-WBMJQRKESA-N
XLogP1.27
TPSA93.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-(8-phenylpurin-7-yl)oxane-2,5-diol?
The IUPAC name of (2S,5R)-2-(8-phenylpurin-7-yl)oxane-2,5-diol (CID 155536011) is (2S,5R)-2-(8-phenylpurin-7-yl)oxane-2,5-diol.
What is the SMILES notation for (2S,5R)-2-(8-phenylpurin-7-yl)oxane-2,5-diol?
The canonical SMILES for (2S,5R)-2-(8-phenylpurin-7-yl)oxane-2,5-diol is O[C@@H]1CC[C@@](O)(n2c(-c3ccccc3)nc3ncncc32)OC1.
What is the InChIKey of (2S,5R)-2-(8-phenylpurin-7-yl)oxane-2,5-diol?
The InChIKey is HDBIWXPAOQWNSG-WBMJQRKESA-N. The full InChI is InChI=1S/C16H16N4O3/c21-12-6-7-16(22,23-9-12)20-13-8-17-10-18-14(13)19-15(20)11-4-2-1-3-5-11/h1-5,8,10,12,21-22H,6-7,9H2/t12-,16+/m1/s1.
What are the key properties of (2S,5R)-2-(8-phenylpurin-7-yl)oxane-2,5-diol?
(2S,5R)-2-(8-phenylpurin-7-yl)oxane-2,5-diol has a molecular weight of 312.33 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-(8-phenylpurin-7-yl)oxane-2,5-diol is sourced from PubChem (CID 155536011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).