[(5S,7R)-7-(6-aminopurin-9-yl)-3-phenylmethoxy-2,6-dioxatricyclo[3.2.1.03,8]octan-5-yl]methanol

C19H19N5O4 — CID 147658240

IUPAC[(5S,7R)-7-(6-aminopurin-9-yl)-3-phenylmethoxy-2,6-dioxatricyclo[3.2.1.03,8]octan-5-yl]methanol
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@@]2(CO)CC3(OCc4ccccc4)OC1C32
InChIInChI=1S/C19H19N5O4/c20-15-12-16(22-9-21-15)24(10-23-12)17-13-14-18(8-25,28-17)7-19(14,27-13)26-6-11-4-2-1-3-5-11/h1-5,9-10,13-14,17,25H,6-8H2,(H2,20,21,22)/t13?,14?,17-,18-,19?/m1/s1
InChIKeyGKVGEBBKYDQWHM-MQRFIZPGSA-N
MW381.39 g/mol
LogP1.00
Rot. Bonds5

About [(5S,7R)-7-(6-aminopurin-9-yl)-3-phenylmethoxy-2,6-dioxatricyclo[3.2.1.03,8]octan-5-yl]methanol

[(5S,7R)-7-(6-aminopurin-9-yl)-3-phenylmethoxy-2,6-dioxatricyclo[3.2.1.03,8]octan-5-yl]methanol (PubChem CID 147658240) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is [(5S,7R)-7-(6-aminopurin-9-yl)-3-phenylmethoxy-2,6-dioxatricyclo[3.2.1.03,8]octan-5-yl]methanol.

Molecular Properties

Compound Name[(5S,7R)-7-(6-aminopurin-9-yl)-3-phenylmethoxy-2,6-dioxatricyclo[3.2.1.03,8]octan-5-yl]methanol
PubChem CID147658240
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name[(5S,7R)-7-(6-aminopurin-9-yl)-3-phenylmethoxy-2,6-dioxatricyclo[3.2.1.03,8]octan-5-yl]methanol
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@@]2(CO)CC3(OCc4ccccc4)OC1C32
InChIInChI=1S/C19H19N5O4/c20-15-12-16(22-9-21-15)24(10-23-12)17-13-14-18(8-25,28-17)7-19(14,27-13)26-6-11-4-2-1-3-5-11/h1-5,9-10,13-14,17,25H,6-8H2,(H2,20,21,22)/t13?,14?,17-,18-,19?/m1/s1
InChIKeyGKVGEBBKYDQWHM-MQRFIZPGSA-N
XLogP1.00
TPSA117.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [(5S,7R)-7-(6-aminopurin-9-yl)-3-phenylmethoxy-2,6-dioxatricyclo[3.2.1.03,8]octan-5-yl]methanol 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

(1R,4R,7S)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-7-ol
CID 164664901
(1S,3R,4R,5S)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)-2-oxabicyclo[3.1.0]hexan-4-ol
CID 11425524
[(1S,3R,7R)-3-(6-aminopurin-9-yl)-7-tert-butyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol
CID 155640394
(7R)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)spiro[2,5-dioxabicyclo[2.2.1]heptane-6,1'-cyclopropane]-7-ol
CID 146600997
[(1R,2R,3R,4R)-4-(6-aminopurin-9-yl)-2,3-bis(phenylmethoxy)cyclopentyl]methanol
CID 10433651
2-[[5-(6-aminopurin-9-yl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methylamino]acetic acid
CID 134460357
[(1S,3R)-3-(6-aminopurin-9-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol
CID 162781865
9-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]purin-6-amine
CID 11570129
methyl 2-[[5-(6-aminopurin-9-yl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methylamino]acetate
CID 134459860
[(2S,5R)-5-(6-aminopurin-9-yl)-4-(benzylamino)oxolan-2-yl]methanol
CID 21145608
9-[(3R,4S)-4-phenylmethoxyoxolan-3-yl]purin-6-amine
CID 10638769
[(4S,6aS)-6-(6-aminopurin-9-yl)-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-yl]methanol
CID 164935277

Frequently Asked Questions

What is the IUPAC name of [(5S,7R)-7-(6-aminopurin-9-yl)-3-phenylmethoxy-2,6-dioxatricyclo[3.2.1.03,8]octan-5-yl]methanol?
The IUPAC name of [(5S,7R)-7-(6-aminopurin-9-yl)-3-phenylmethoxy-2,6-dioxatricyclo[3.2.1.03,8]octan-5-yl]methanol (CID 147658240) is [(5S,7R)-7-(6-aminopurin-9-yl)-3-phenylmethoxy-2,6-dioxatricyclo[3.2.1.03,8]octan-5-yl]methanol.
What is the SMILES notation for [(5S,7R)-7-(6-aminopurin-9-yl)-3-phenylmethoxy-2,6-dioxatricyclo[3.2.1.03,8]octan-5-yl]methanol?
The canonical SMILES for [(5S,7R)-7-(6-aminopurin-9-yl)-3-phenylmethoxy-2,6-dioxatricyclo[3.2.1.03,8]octan-5-yl]methanol is Nc1ncnc2c1ncn2[C@@H]1O[C@@]2(CO)CC3(OCc4ccccc4)OC1C32.
What is the InChIKey of [(5S,7R)-7-(6-aminopurin-9-yl)-3-phenylmethoxy-2,6-dioxatricyclo[3.2.1.03,8]octan-5-yl]methanol?
The InChIKey is GKVGEBBKYDQWHM-MQRFIZPGSA-N. The full InChI is InChI=1S/C19H19N5O4/c20-15-12-16(22-9-21-15)24(10-23-12)17-13-14-18(8-25,28-17)7-19(14,27-13)26-6-11-4-2-1-3-5-11/h1-5,9-10,13-14,17,25H,6-8H2,(H2,20,21,22)/t13?,14?,17-,18-,19?/m1/s1.
What are the key properties of [(5S,7R)-7-(6-aminopurin-9-yl)-3-phenylmethoxy-2,6-dioxatricyclo[3.2.1.03,8]octan-5-yl]methanol?
[(5S,7R)-7-(6-aminopurin-9-yl)-3-phenylmethoxy-2,6-dioxatricyclo[3.2.1.03,8]octan-5-yl]methanol has a molecular weight of 381.39 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S,7R)-7-(6-aminopurin-9-yl)-3-phenylmethoxy-2,6-dioxatricyclo[3.2.1.03,8]octan-5-yl]methanol is sourced from PubChem (CID 147658240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).