(2R,3R,4S,5R)-2-(6-amino-2-phenoxypurin-9-yl)-5-methyloxolane-3,4-diol

C16H17N5O4 — CID 56659837

IUPAC(2R,3R,4S,5R)-2-(6-amino-2-phenoxypurin-9-yl)-5-methyloxolane-3,4-diol
SMILESC[C@H]1O[C@@H](n2cnc3c(N)nc(Oc4ccccc4)nc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C16H17N5O4/c1-8-11(22)12(23)15(24-8)21-7-18-10-13(17)19-16(20-14(10)21)25-9-5-3-2-4-6-9/h2-8,11-12,15,22-23H,1H3,(H2,17,19,20)/t8-,11-,12-,15-/m1/s1
InChIKeyCOERWXRCVDFLFJ-PMXXHBEXSA-N
MW343.34 g/mol
LogP0.84
Rot. Bonds3

About (2R,3R,4S,5R)-2-(6-amino-2-phenoxypurin-9-yl)-5-methyloxolane-3,4-diol

(2R,3R,4S,5R)-2-(6-amino-2-phenoxypurin-9-yl)-5-methyloxolane-3,4-diol (PubChem CID 56659837) has the molecular formula C16H17N5O4 and a molecular weight of 343.34 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(6-amino-2-phenoxypurin-9-yl)-5-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-(6-amino-2-phenoxypurin-9-yl)-5-methyloxolane-3,4-diol
PubChem CID56659837
Molecular FormulaC16H17N5O4
Molecular Weight343.34 g/mol
Exact Mass343.13
IUPAC Name(2R,3R,4S,5R)-2-(6-amino-2-phenoxypurin-9-yl)-5-methyloxolane-3,4-diol
SMILESC[C@H]1O[C@@H](n2cnc3c(N)nc(Oc4ccccc4)nc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C16H17N5O4/c1-8-11(22)12(23)15(24-8)21-7-18-10-13(17)19-16(20-14(10)21)25-9-5-3-2-4-6-9/h2-8,11-12,15,22-23H,1H3,(H2,17,19,20)/t8-,11-,12-,15-/m1/s1
InChIKeyCOERWXRCVDFLFJ-PMXXHBEXSA-N
XLogP0.84
TPSA128.54 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-(6-amino-2-phenoxypurin-9-yl)-5-methyloxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-2-(6-amino-2-phenoxypurin-9-yl)-5-methyloxolane-3,4-diol (CID 56659837) is (2R,3R,4S,5R)-2-(6-amino-2-phenoxypurin-9-yl)-5-methyloxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-2-(6-amino-2-phenoxypurin-9-yl)-5-methyloxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-2-(6-amino-2-phenoxypurin-9-yl)-5-methyloxolane-3,4-diol is C[C@H]1O[C@@H](n2cnc3c(N)nc(Oc4ccccc4)nc32)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-(6-amino-2-phenoxypurin-9-yl)-5-methyloxolane-3,4-diol?
The InChIKey is COERWXRCVDFLFJ-PMXXHBEXSA-N. The full InChI is InChI=1S/C16H17N5O4/c1-8-11(22)12(23)15(24-8)21-7-18-10-13(17)19-16(20-14(10)21)25-9-5-3-2-4-6-9/h2-8,11-12,15,22-23H,1H3,(H2,17,19,20)/t8-,11-,12-,15-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-(6-amino-2-phenoxypurin-9-yl)-5-methyloxolane-3,4-diol?
(2R,3R,4S,5R)-2-(6-amino-2-phenoxypurin-9-yl)-5-methyloxolane-3,4-diol has a molecular weight of 343.34 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-(6-amino-2-phenoxypurin-9-yl)-5-methyloxolane-3,4-diol is sourced from PubChem (CID 56659837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).