[(1R,2S,3R)-2-fluoro-5-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-hydroxy-oxophosphanium

C9H13FN4O4P+ — CID 163604893

IUPAC[(1R,2S,3R)-2-fluoro-5-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-hydroxy-oxophosphanium
SMILESO=[P+](O)O[C@@H]1C(CO)C[C@@H](Nc2ncncn2)[C@@H]1F
InChIInChI=1S/C9H12FN4O4P/c10-7-6(14-9-12-3-11-4-13-9)1-5(2-15)8(7)18-19(16)17/h3-8,15H,1-2H2,(H-,11,12,13,14,16,17)/p+1/t5?,6-,7+,8-/m1/s1
InChIKeyUVCWMDFKVDMFIR-KTUCCBJNSA-O
MW291.20 g/mol
LogP0.04
Rot. Bonds5

About [(1R,2S,3R)-2-fluoro-5-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-hydroxy-oxophosphanium

[(1R,2S,3R)-2-fluoro-5-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-hydroxy-oxophosphanium (PubChem CID 163604893) has the molecular formula C9H13FN4O4P+ and a molecular weight of 291.20 g/mol. Its IUPAC name is [(1R,2S,3R)-2-fluoro-5-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[(1R,2S,3R)-2-fluoro-5-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-hydroxy-oxophosphanium
PubChem CID163604893
Molecular FormulaC9H13FN4O4P+
Molecular Weight291.20 g/mol
Exact Mass291.07
IUPAC Name[(1R,2S,3R)-2-fluoro-5-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-hydroxy-oxophosphanium
SMILESO=[P+](O)O[C@@H]1C(CO)C[C@@H](Nc2ncncn2)[C@@H]1F
InChIInChI=1S/C9H12FN4O4P/c10-7-6(14-9-12-3-11-4-13-9)1-5(2-15)8(7)18-19(16)17/h3-8,15H,1-2H2,(H-,11,12,13,14,16,17)/p+1/t5?,6-,7+,8-/m1/s1
InChIKeyUVCWMDFKVDMFIR-KTUCCBJNSA-O
XLogP0.04
TPSA117.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.20
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2S,3R,5R)-2-fluoro-5-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-hydroxy-oxophosphanium
CID 142588246
(1R,2S,3R,5R)-2-fluoro-5-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol
CID 150307493
(1R,2S,3R,5R)-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol
CID 155663678
N-[(1R,2R,4S)-4-(dihydroxyphosphinothioyloxymethyl)-2-fluorocyclopentyl]-1,3,5-triazin-2-amine
CID 173991130
[(1S,2S,4R)-2-hydroxy-4-[[4-(methylamino)-1,3,5-triazin-2-yl]amino]cyclopentyl]methyl sulfamate
CID 126610707
hydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-[methyl(1,3,5-triazin-2-yl)amino]cyclopentyl]oxy-oxophosphanium
CID 142588248
hydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-oxophosphanium
CID 142588340
Hydroxy-[1-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-oxophosphanium
CID 151465670
hydroxy-[[(1S,4R)-2-(hydroxymethyl)-4-(1,3,5-triazin-2-ylamino)cyclopentyl]methoxy]-oxophosphanium
CID 156466567
hydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-[methyl(1,3,5-triazin-2-yl)amino]cyclopentyl]oxy-oxophosphanium;methane
CID 158245744
hydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-oxophosphanium;methane
CID 160545407
[(1R,2S,3R,5R)-2-fluoro-5-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-hydroxy-oxophosphanium;methane
CID 160555818

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3R)-2-fluoro-5-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-hydroxy-oxophosphanium?
The IUPAC name of [(1R,2S,3R)-2-fluoro-5-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-hydroxy-oxophosphanium (CID 163604893) is [(1R,2S,3R)-2-fluoro-5-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-hydroxy-oxophosphanium.
What is the SMILES notation for [(1R,2S,3R)-2-fluoro-5-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-hydroxy-oxophosphanium?
The canonical SMILES for [(1R,2S,3R)-2-fluoro-5-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-hydroxy-oxophosphanium is O=[P+](O)O[C@@H]1C(CO)C[C@@H](Nc2ncncn2)[C@@H]1F.
What is the InChIKey of [(1R,2S,3R)-2-fluoro-5-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-hydroxy-oxophosphanium?
The InChIKey is UVCWMDFKVDMFIR-KTUCCBJNSA-O. The full InChI is InChI=1S/C9H12FN4O4P/c10-7-6(14-9-12-3-11-4-13-9)1-5(2-15)8(7)18-19(16)17/h3-8,15H,1-2H2,(H-,11,12,13,14,16,17)/p+1/t5?,6-,7+,8-/m1/s1.
What are the key properties of [(1R,2S,3R)-2-fluoro-5-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-hydroxy-oxophosphanium?
[(1R,2S,3R)-2-fluoro-5-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-hydroxy-oxophosphanium has a molecular weight of 291.20 g/mol, XLogP of 0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3R)-2-fluoro-5-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-hydroxy-oxophosphanium is sourced from PubChem (CID 163604893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).