[4-[6-amino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-2-carbonyl]phenyl]-phenylmethanone

C24H21N5O6 — CID 91086762

IUPAC[4-[6-amino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-2-carbonyl]phenyl]-phenylmethanone
SMILESNc1nc(C(=O)c2ccc(C(=O)c3ccccc3)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)C(O)C1O
InChIInChI=1S/C24H21N5O6/c25-21-16-23(29(11-26-16)24-20(34)19(33)15(10-30)35-24)28-22(27-21)18(32)14-8-6-13(7-9-14)17(31)12-4-2-1-3-5-12/h1-9,11,15,19-20,24,30,33-34H,10H2,(H2,25,27,28)/t15-,19?,20?,24-/m1/s1
InChIKeyCWNONNGXJCXLBS-ZXECUMQZSA-N
MW475.46 g/mol
LogP0.48
Rot. Bonds6

About [4-[6-amino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-2-carbonyl]phenyl]-phenylmethanone

[4-[6-amino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-2-carbonyl]phenyl]-phenylmethanone (PubChem CID 91086762) has the molecular formula C24H21N5O6 and a molecular weight of 475.46 g/mol. Its IUPAC name is [4-[6-amino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-2-carbonyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[6-amino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-2-carbonyl]phenyl]-phenylmethanone
PubChem CID91086762
Molecular FormulaC24H21N5O6
Molecular Weight475.46 g/mol
Exact Mass475.15
IUPAC Name[4-[6-amino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-2-carbonyl]phenyl]-phenylmethanone
SMILESNc1nc(C(=O)c2ccc(C(=O)c3ccccc3)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)C(O)C1O
InChIInChI=1S/C24H21N5O6/c25-21-16-23(29(11-26-16)24-20(34)19(33)15(10-30)35-24)28-22(27-21)18(32)14-8-6-13(7-9-14)17(31)12-4-2-1-3-5-12/h1-9,11,15,19-20,24,30,33-34H,10H2,(H2,25,27,28)/t15-,19?,20?,24-/m1/s1
InChIKeyCWNONNGXJCXLBS-ZXECUMQZSA-N
XLogP0.48
TPSA173.68 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.46
LogP ≤ 50.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze [4-[6-amino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-2-carbonyl]phenyl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R,4S,5R)-2-(6-amino-2-pyridin-2-ylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 121486926
(2R,5R)-2-(6-amino-2-anilinopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 57273473
(3R,5R)-2-(6-amino-2-hydrazinylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59408599
(2R,5R)-2-(6-amino-2-hydrazinylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 57128578
(4S,5R)-2-(6-amino-2-hydrazinylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59760572
(2R,3R,4S,5R)-2-[6-amino-2-(2-chlorophenyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 154121086
2-(6-amino-2-(18F)fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 154716223
(2R,3R,4R,5S)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 46936980
(2R,3R,4S,5S)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 6603778
(2R,3R,4S,5R)-2-(6-amino-2-(18F)fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 11150286
(3S)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 171699513
(2R,3R,4S,5R)-2-[6-amino-2-(2,3-dihydro-1H-inden-2-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 15690127

Frequently Asked Questions

What is the IUPAC name of [4-[6-amino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-2-carbonyl]phenyl]-phenylmethanone?
The IUPAC name of [4-[6-amino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-2-carbonyl]phenyl]-phenylmethanone (CID 91086762) is [4-[6-amino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-2-carbonyl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[6-amino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-2-carbonyl]phenyl]-phenylmethanone?
The canonical SMILES for [4-[6-amino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-2-carbonyl]phenyl]-phenylmethanone is Nc1nc(C(=O)c2ccc(C(=O)c3ccccc3)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)C(O)C1O.
What is the InChIKey of [4-[6-amino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-2-carbonyl]phenyl]-phenylmethanone?
The InChIKey is CWNONNGXJCXLBS-ZXECUMQZSA-N. The full InChI is InChI=1S/C24H21N5O6/c25-21-16-23(29(11-26-16)24-20(34)19(33)15(10-30)35-24)28-22(27-21)18(32)14-8-6-13(7-9-14)17(31)12-4-2-1-3-5-12/h1-9,11,15,19-20,24,30,33-34H,10H2,(H2,25,27,28)/t15-,19?,20?,24-/m1/s1.
What are the key properties of [4-[6-amino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-2-carbonyl]phenyl]-phenylmethanone?
[4-[6-amino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-2-carbonyl]phenyl]-phenylmethanone has a molecular weight of 475.46 g/mol, XLogP of 0.48, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-amino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-2-carbonyl]phenyl]-phenylmethanone is sourced from PubChem (CID 91086762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).