(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-2-(2,2-diphenylethyl)-5-methyloxolane-3,4-diol

C24H25N5O3 — CID 70401201

IUPAC(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-2-(2,2-diphenylethyl)-5-methyloxolane-3,4-diol
SMILESC[C@H]1O[C@@](CC(c2ccccc2)c2ccccc2)(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C24H25N5O3/c1-15-20(30)21(31)24(32-15,29-14-28-19-22(25)26-13-27-23(19)29)12-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,13-15,18,20-21,30-31H,12H2,1H3,(H2,25,26,27)/t15-,20-,21-,24-/m1/s1
InChIKeyZOARTGJUQDGWIF-FKLNCEEKSA-N
MW431.50 g/mol
LogP2.42
Rot. Bonds5

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

(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-2-(2,2-diphenylethyl)-5-methyloxolane-3,4-diol (PubChem CID 70401201) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-2-(2,2-diphenylethyl)-5-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-2-(2,2-diphenylethyl)-5-methyloxolane-3,4-diol
PubChem CID70401201
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-2-(2,2-diphenylethyl)-5-methyloxolane-3,4-diol
SMILESC[C@H]1O[C@@](CC(c2ccccc2)c2ccccc2)(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C24H25N5O3/c1-15-20(30)21(31)24(32-15,29-14-28-19-22(25)26-13-27-23(19)29)12-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,13-15,18,20-21,30-31H,12H2,1H3,(H2,25,26,27)/t15-,20-,21-,24-/m1/s1
InChIKeyZOARTGJUQDGWIF-FKLNCEEKSA-N
XLogP2.42
TPSA119.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-2-(5,5-diphenylpentyl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 70425484
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-[(1S)-1-phenylethyl]oxolane-3,4-diol
CID 70869379
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-2-[2-[tert-butyl(dimethyl)silyl]-2-hydroxyethyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 154429547
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-(3-methylbutyl)oxolane-3,4-diol
CID 67124950
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-5-benzyl-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
CID 67643724
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-[2-(2-methylphenyl)ethyl]oxolane-3,4-diol
CID 175857754
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-(2-phenylpropoxy)oxolane-3,4-diol
CID 68960926
(2S,3R,4S,5R)-2-(3-aminopropylamino)-2-(6-aminopurin-9-yl)-5-methyloxolane-3,4-diol
CID 139993317
(2R,3R,4S,5R)-2-(2-aminoprop-2-enyl)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 67537410
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-2-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 70869409
(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-[[(2S,3S)-2-methyl-3,4-dihydro-2H-chromen-3-yl]amino]oxolane-3,4-diol
CID 70401829
(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-[(2-methyl-3,4-dihydro-2H-chromen-3-yl)amino]oxolane-3,4-diol
CID 70400620

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-2-(2,2-diphenylethyl)-5-methyloxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-2-(2,2-diphenylethyl)-5-methyloxolane-3,4-diol (CID 70401201) is (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-2-(2,2-diphenylethyl)-5-methyloxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-2-(2,2-diphenylethyl)-5-methyloxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-2-(2,2-diphenylethyl)-5-methyloxolane-3,4-diol is C[C@H]1O[C@@](CC(c2ccccc2)c2ccccc2)(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-2-(2,2-diphenylethyl)-5-methyloxolane-3,4-diol?
The InChIKey is ZOARTGJUQDGWIF-FKLNCEEKSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-15-20(30)21(31)24(32-15,29-14-28-19-22(25)26-13-27-23(19)29)12-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,13-15,18,20-21,30-31H,12H2,1H3,(H2,25,26,27)/t15-,20-,21-,24-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-2-(2,2-diphenylethyl)-5-methyloxolane-3,4-diol?
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-2-(2,2-diphenylethyl)-5-methyloxolane-3,4-diol has a molecular weight of 431.50 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-2-(2,2-diphenylethyl)-5-methyloxolane-3,4-diol is sourced from PubChem (CID 70401201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).