bis[[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]oxy]-hydroxy-methoxyphosphanium

C19H24N10O8P+ — CID 171428862

IUPACbis[[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]oxy]-hydroxy-methoxyphosphanium
SMILESCO[P+](O)(OC1CC(O)C(n2cnc3c(N)ncnc32)O1)OC1CC(O)C(n2cnc3c(N)ncnc32)O1
InChIInChI=1S/C19H24N10O8P/c1-33-38(32,36-10-2-8(30)18(34-10)28-6-26-12-14(20)22-4-24-16(12)28)37-11-3-9(31)19(35-11)29-7-27-13-15(21)23-5-25-17(13)29/h4-11,18-19,30-32H,2-3H2,1H3,(H2,20,22,24)(H2,21,23,25)/q+1
InChIKeyOWVDQVAHRYCNNP-UHFFFAOYSA-N
MW551.44 g/mol
LogP-0.61
Rot. Bonds7

About bis[[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]oxy]-hydroxy-methoxyphosphanium

bis[[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]oxy]-hydroxy-methoxyphosphanium (PubChem CID 171428862) has the molecular formula C19H24N10O8P+ and a molecular weight of 551.44 g/mol. Its IUPAC name is bis[[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]oxy]-hydroxy-methoxyphosphanium.

Molecular Properties

Compound Namebis[[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]oxy]-hydroxy-methoxyphosphanium
PubChem CID171428862
Molecular FormulaC19H24N10O8P+
Molecular Weight551.44 g/mol
Exact Mass551.15
IUPAC Namebis[[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]oxy]-hydroxy-methoxyphosphanium
SMILESCO[P+](O)(OC1CC(O)C(n2cnc3c(N)ncnc32)O1)OC1CC(O)C(n2cnc3c(N)ncnc32)O1
InChIInChI=1S/C19H24N10O8P/c1-33-38(32,36-10-2-8(30)18(34-10)28-6-26-12-14(20)22-4-24-16(12)28)37-11-3-9(31)19(35-11)29-7-27-13-15(21)23-5-25-17(13)29/h4-11,18-19,30-32H,2-3H2,1H3,(H2,20,22,24)(H2,21,23,25)/q+1
InChIKeyOWVDQVAHRYCNNP-UHFFFAOYSA-N
XLogP-0.61
TPSA246.08 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.44
LogP ≤ 5-0.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze bis[[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]oxy]-hydroxy-methoxyphosphanium 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

bis[[5-[6-amino-8-(propan-2-ylamino)purin-9-yl]-4-hydroxyoxolan-2-yl]oxy]-hydroxy-methoxyphosphanium
CID 176620392
(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(prop-1-en-2-yloxymethyl)oxolan-3-ol
CID 155058716
[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl propan-2-yl hydrogen phosphite
CID 144900448
(2R,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolan-3-ol
CID 91227656
(2R,5S)-2-(6-aminopurin-9-yl)-5-methoxyoxolane-3,4-diol
CID 67588399
magnesium;(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;hydride
CID 174820086
(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol
CID 14192244
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-(1-methoxyethoxy)oxolan-3-ol
CID 67529570
(2R,3R,4S,5S)-4-amino-2-(6-aminopurin-9-yl)-5-(1-methoxyethyl)oxolan-3-ol
CID 18661226
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[(1S)-1-hydroxyethyl]oxolane-3,4-diol
CID 15612716
(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(dihydroxyphosphinothioyloxymethyl)oxolan-3-ol
CID 155062621
2-(6-aminopurin-9-yl)-5-(phosphorosomethoxymethyl)oxolan-3-ol
CID 175453370

Frequently Asked Questions

What is the IUPAC name of bis[[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]oxy]-hydroxy-methoxyphosphanium?
The IUPAC name of bis[[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]oxy]-hydroxy-methoxyphosphanium (CID 171428862) is bis[[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]oxy]-hydroxy-methoxyphosphanium.
What is the SMILES notation for bis[[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]oxy]-hydroxy-methoxyphosphanium?
The canonical SMILES for bis[[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]oxy]-hydroxy-methoxyphosphanium is CO[P+](O)(OC1CC(O)C(n2cnc3c(N)ncnc32)O1)OC1CC(O)C(n2cnc3c(N)ncnc32)O1.
What is the InChIKey of bis[[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]oxy]-hydroxy-methoxyphosphanium?
The InChIKey is OWVDQVAHRYCNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N10O8P/c1-33-38(32,36-10-2-8(30)18(34-10)28-6-26-12-14(20)22-4-24-16(12)28)37-11-3-9(31)19(35-11)29-7-27-13-15(21)23-5-25-17(13)29/h4-11,18-19,30-32H,2-3H2,1H3,(H2,20,22,24)(H2,21,23,25)/q+1.
What are the key properties of bis[[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]oxy]-hydroxy-methoxyphosphanium?
bis[[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]oxy]-hydroxy-methoxyphosphanium has a molecular weight of 551.44 g/mol, XLogP of -0.61, 7 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]oxy]-hydroxy-methoxyphosphanium is sourced from PubChem (CID 171428862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).