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

C24H20N4O4 — CID 59035022

IUPAC(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-phenanthren-9-ylpurin-9-yl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](n2cnc3c(-c4cc5ccccc5c5ccccc45)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C24H20N4O4/c29-10-18-21(30)22(31)24(32-18)28-12-27-20-19(25-11-26-23(20)28)17-9-13-5-1-2-6-14(13)15-7-3-4-8-16(15)17/h1-9,11-12,18,21-22,24,29-31H,10H2/t18-,21-,22-,24-/m1/s1
InChIKeyGOAJEIIVZNFTNG-QMBPOEKNSA-N
MW428.45 g/mol
LogP2.41
Rot. Bonds3

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

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-phenanthren-9-ylpurin-9-yl)oxolane-3,4-diol (PubChem CID 59035022) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-phenanthren-9-ylpurin-9-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-phenanthren-9-ylpurin-9-yl)oxolane-3,4-diol
PubChem CID59035022
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC Name(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-phenanthren-9-ylpurin-9-yl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](n2cnc3c(-c4cc5ccccc5c5ccccc45)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C24H20N4O4/c29-10-18-21(30)22(31)24(32-18)28-12-27-20-19(25-11-26-23(20)28)17-9-13-5-1-2-6-14(13)15-7-3-4-8-16(15)17/h1-9,11-12,18,21-22,24,29-31H,10H2/t18-,21-,22-,24-/m1/s1
InChIKeyGOAJEIIVZNFTNG-QMBPOEKNSA-N
XLogP2.41
TPSA113.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-phenanthren-9-ylpurin-9-yl)oxolane-3,4-diol 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,3S,4R,5R)-2-(hydroxymethyl)-5-(6-pyridin-2-ylpurin-9-yl)oxolane-3,4-diol
CID 10336664
(2R,3S,4R)-2-(hydroxymethyl)-5-[6-(trifluoromethyl)purin-9-yl]oxolane-3,4-diol
CID 11723503
(2R,4R,5R)-2-(6-anilinopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 11957679
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolane-3,4-diol
CID 123223819
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 191
(2S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 163837057
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 23279550
(2R,3R,4S,5R)-2-(6-(15N)azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 11129405
(2R,3R,4R,5R)-2-(6-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 12810918
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-iodopurin-9-yl)oxolane-3,4-diol
CID 18661222
(2R,3R,4S,5R)-2-[6-(fluoromethyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 11437567
2-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]-1,2-benzoselenazol-3-one
CID 511853

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-phenanthren-9-ylpurin-9-yl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-phenanthren-9-ylpurin-9-yl)oxolane-3,4-diol (CID 59035022) is (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-phenanthren-9-ylpurin-9-yl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-phenanthren-9-ylpurin-9-yl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-phenanthren-9-ylpurin-9-yl)oxolane-3,4-diol is OC[C@H]1O[C@@H](n2cnc3c(-c4cc5ccccc5c5ccccc45)ncnc32)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-phenanthren-9-ylpurin-9-yl)oxolane-3,4-diol?
The InChIKey is GOAJEIIVZNFTNG-QMBPOEKNSA-N. The full InChI is InChI=1S/C24H20N4O4/c29-10-18-21(30)22(31)24(32-18)28-12-27-20-19(25-11-26-23(20)28)17-9-13-5-1-2-6-14(13)15-7-3-4-8-16(15)17/h1-9,11-12,18,21-22,24,29-31H,10H2/t18-,21-,22-,24-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-phenanthren-9-ylpurin-9-yl)oxolane-3,4-diol?
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-phenanthren-9-ylpurin-9-yl)oxolane-3,4-diol has a molecular weight of 428.45 g/mol, XLogP of 2.41, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-phenanthren-9-ylpurin-9-yl)oxolane-3,4-diol is sourced from PubChem (CID 59035022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).