[(2R,3S)-5,5,5-trifluoro-2,3-dihydroxy-4-oxopentyl] dihydrogen phosphate

C5H8F3O7P — CID 11300138

IUPAC[(2R,3S)-5,5,5-trifluoro-2,3-dihydroxy-4-oxopentyl] dihydrogen phosphate
SMILESO=C([C@@H](O)[C@H](O)COP(=O)(O)O)C(F)(F)F
InChIInChI=1S/C5H8F3O7P/c6-5(7,8)4(11)3(10)2(9)1-15-16(12,13)14/h2-3,9-10H,1H2,(H2,12,13,14)/t2-,3+/m1/s1
InChIKeyBLDNVRSXGNFJAC-GBXIJSLDSA-N
MW268.08 g/mol
LogP-1.05
Rot. Bonds5

About [(2R,3S)-5,5,5-trifluoro-2,3-dihydroxy-4-oxopentyl] dihydrogen phosphate

[(2R,3S)-5,5,5-trifluoro-2,3-dihydroxy-4-oxopentyl] dihydrogen phosphate (PubChem CID 11300138) has the molecular formula C5H8F3O7P and a molecular weight of 268.08 g/mol. Its IUPAC name is [(2R,3S)-5,5,5-trifluoro-2,3-dihydroxy-4-oxopentyl] dihydrogen phosphate.

Molecular Properties

Compound Name[(2R,3S)-5,5,5-trifluoro-2,3-dihydroxy-4-oxopentyl] dihydrogen phosphate
PubChem CID11300138
Molecular FormulaC5H8F3O7P
Molecular Weight268.08 g/mol
Exact Mass268.00
IUPAC Name[(2R,3S)-5,5,5-trifluoro-2,3-dihydroxy-4-oxopentyl] dihydrogen phosphate
SMILESO=C([C@@H](O)[C@H](O)COP(=O)(O)O)C(F)(F)F
InChIInChI=1S/C5H8F3O7P/c6-5(7,8)4(11)3(10)2(9)1-15-16(12,13)14/h2-3,9-10H,1H2,(H2,12,13,14)/t2-,3+/m1/s1
InChIKeyBLDNVRSXGNFJAC-GBXIJSLDSA-N
XLogP-1.05
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.08
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3R)-2,3-dihydroxy-4-oxo(1,2,3-13C3)pentyl] dihydrogen phosphate
CID 135481610
[(2R,3S)-2,3-dihydroxy-4-oxo(1,2,3-13C3)pentyl] dihydrogen phosphate
CID 10656380
[(2R,3S)-2,3-dihydroxy-4-oxo(1,2,3,4,5-13C5)pentyl] dihydrogen phosphate
CID 10822726
[(2S,3S)-2,3-dihydroxy-4-oxo-5-phosphonooxypentyl] dihydrogen phosphate
CID 53481986
(6-fluoro-2,3,4,5-tetrahydroxy-6-oxohexyl) dihydrogen phosphate
CID 175056862
[(2R,3R)-2,3-dihydroxy-4-methylpent-4-enyl] dihydrogen phosphate
CID 88886753
2,3,4-trihydroxy-5-phosphonooxypentanoic acid
CID 3283969
(3S,4R)-1,1,1-trifluoro-3,4,5-trihydroxypentan-2-one
CID 152743649
[(2S,3R)-2,3-dihydroxy-4-oxobutyl] dihydrogen phosphate
CID 46936836
[(3S,4R)-3,4-dihydroxy-2-oxo-5-phosphonooxypentyl] hydroxy hydrogen phosphate
CID 171125487
(2,3-dihydroxy-4-oxobutyl) dihydrogen phosphate;phosphoric acid
CID 175031985
GLUCONIC ACID 6-(DIHYDROGEN PHOSPHATE), BARIUM SALT
CID 126960458

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-5,5,5-trifluoro-2,3-dihydroxy-4-oxopentyl] dihydrogen phosphate?
The IUPAC name of [(2R,3S)-5,5,5-trifluoro-2,3-dihydroxy-4-oxopentyl] dihydrogen phosphate (CID 11300138) is [(2R,3S)-5,5,5-trifluoro-2,3-dihydroxy-4-oxopentyl] dihydrogen phosphate.
What is the SMILES notation for [(2R,3S)-5,5,5-trifluoro-2,3-dihydroxy-4-oxopentyl] dihydrogen phosphate?
The canonical SMILES for [(2R,3S)-5,5,5-trifluoro-2,3-dihydroxy-4-oxopentyl] dihydrogen phosphate is O=C([C@@H](O)[C@H](O)COP(=O)(O)O)C(F)(F)F.
What is the InChIKey of [(2R,3S)-5,5,5-trifluoro-2,3-dihydroxy-4-oxopentyl] dihydrogen phosphate?
The InChIKey is BLDNVRSXGNFJAC-GBXIJSLDSA-N. The full InChI is InChI=1S/C5H8F3O7P/c6-5(7,8)4(11)3(10)2(9)1-15-16(12,13)14/h2-3,9-10H,1H2,(H2,12,13,14)/t2-,3+/m1/s1.
What are the key properties of [(2R,3S)-5,5,5-trifluoro-2,3-dihydroxy-4-oxopentyl] dihydrogen phosphate?
[(2R,3S)-5,5,5-trifluoro-2,3-dihydroxy-4-oxopentyl] dihydrogen phosphate has a molecular weight of 268.08 g/mol, XLogP of -1.05, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-5,5,5-trifluoro-2,3-dihydroxy-4-oxopentyl] dihydrogen phosphate is sourced from PubChem (CID 11300138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).