[(2S,3R,4R)-3-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]-trihydroxyphosphanium

C10H12FN5O7P+ — CID 91146638

IUPAC[(2S,3R,4R)-3-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]-trihydroxyphosphanium
SMILESNc1nc(F)nc2c1ncn2[C@@]1(O)[C@H](O)CO[C@@H]1C(=O)[P+](O)(O)O
InChIInChI=1S/C10H12FN5O7P/c11-9-14-6(12)4-7(15-9)16(2-13-4)10(19)3(17)1-23-5(10)8(18)24(20,21)22/h2-3,5,17,19-22H,1H2,(H2,12,14,15)/q+1/t3-,5-,10-/m1/s1
InChIKeyGZJPILGZRBRXMC-AHHSDZFFSA-N
MW364.21 g/mol
LogP-2.78
Rot. Bonds3

About [(2S,3R,4R)-3-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]-trihydroxyphosphanium

[(2S,3R,4R)-3-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]-trihydroxyphosphanium (PubChem CID 91146638) has the molecular formula C10H12FN5O7P+ and a molecular weight of 364.21 g/mol. Its IUPAC name is [(2S,3R,4R)-3-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]-trihydroxyphosphanium.

Molecular Properties

Compound Name[(2S,3R,4R)-3-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]-trihydroxyphosphanium
PubChem CID91146638
Molecular FormulaC10H12FN5O7P+
Molecular Weight364.21 g/mol
Exact Mass364.05
IUPAC Name[(2S,3R,4R)-3-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]-trihydroxyphosphanium
SMILESNc1nc(F)nc2c1ncn2[C@@]1(O)[C@H](O)CO[C@@H]1C(=O)[P+](O)(O)O
InChIInChI=1S/C10H12FN5O7P/c11-9-14-6(12)4-7(15-9)16(2-13-4)10(19)3(17)1-23-5(10)8(18)24(20,21)22/h2-3,5,17,19-22H,1H2,(H2,12,14,15)/q+1/t3-,5-,10-/m1/s1
InChIKeyGZJPILGZRBRXMC-AHHSDZFFSA-N
XLogP-2.78
TPSA197.07 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500364.21
LogP ≤ 5-2.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze [(2S,3R,4R)-3-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]-trihydroxyphosphanium with MolForge

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Related Compounds

(2R,3R,4R)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol
CID 67235799
2-[3-(6-amino-2-fluoropurin-9-yl)-1-hydroxyprop-2-ynyl]oxolan-3-ol
CID 177255435
(2R,3S)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)-2-methyloxolan-3-ol
CID 137434563
(2R,3S,4R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)-2,3,4,5-tetramethyloxolane-3,4-diol
CID 42553034
(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-(1-fluoroethyl)-2-(hydroxymethyl)oxolan-3-ol
CID 169213006
[(2R,5R)-5-(6-amino-2-fluoropurin-9-yl)-3-fluorooxolan-2-yl]methanol
CID 57318996
[(3R,5R)-5-(6-amino-2-fluoropurin-9-yl)-3-fluorooxolan-3-yl]methanol
CID 70294458
[(3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)-3-methyloxolan-2-yl]methanol
CID 170212867
(1R,2S,3R,5R)-3-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)-1-methylcyclopentane-1,2-diol
CID 25113695
[(2S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2,5-dihydrofuran-2-yl]methanol
CID 15172905
[(2R,5S)-5-(6-amino-2-fluoropurin-9-yl)-2,5-dihydrofuran-2-yl]methanol
CID 15172904
CID 155596833
CID 155596833

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R)-3-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]-trihydroxyphosphanium?
The IUPAC name of [(2S,3R,4R)-3-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]-trihydroxyphosphanium (CID 91146638) is [(2S,3R,4R)-3-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]-trihydroxyphosphanium.
What is the SMILES notation for [(2S,3R,4R)-3-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]-trihydroxyphosphanium?
The canonical SMILES for [(2S,3R,4R)-3-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]-trihydroxyphosphanium is Nc1nc(F)nc2c1ncn2[C@@]1(O)[C@H](O)CO[C@@H]1C(=O)[P+](O)(O)O.
What is the InChIKey of [(2S,3R,4R)-3-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]-trihydroxyphosphanium?
The InChIKey is GZJPILGZRBRXMC-AHHSDZFFSA-N. The full InChI is InChI=1S/C10H12FN5O7P/c11-9-14-6(12)4-7(15-9)16(2-13-4)10(19)3(17)1-23-5(10)8(18)24(20,21)22/h2-3,5,17,19-22H,1H2,(H2,12,14,15)/q+1/t3-,5-,10-/m1/s1.
What are the key properties of [(2S,3R,4R)-3-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]-trihydroxyphosphanium?
[(2S,3R,4R)-3-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]-trihydroxyphosphanium has a molecular weight of 364.21 g/mol, XLogP of -2.78, 3 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R)-3-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]-trihydroxyphosphanium is sourced from PubChem (CID 91146638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).