(3,4-Dihydroxy-5-methylsulfanyl-2-oxopentyl) dihydrogen phosphate

HCID 329

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Basic information

Standard SMILES: CSCC(O)C(O)C(=O)COP(=O)(O)O
InChIKey: CNSJRYUMVMWNMC-UHFFFAOYSA-N
Molecular formula: C6H13O7PS
Average molar mass: 260.2 g/mol
Monoisotopic mass: 260.01196092

Names & identifiers

Preferred name: (3,4-Dihydroxy-5-methylsulfanyl-2-oxopentyl) dihydrogen phosphate
IUPAC: (3,4-dihydroxy-5-methylsulfanyl-2-oxopentyl) dihydrogen phosphate

Names & synonyms

86316-83-8(3,4-dihydroxy-5-methylsulfanyl-2-oxopentyl) dihydrogen phosphate(3,4-DIHYDROXY-5-METHYLSULFANYL-2-OXO-PENTOXY)PHOSPHONIC ACIDSCHEMBL25391641S-Methyl-5-thio-D-ribulose 1-phosphoric acidS-Methyl-5-thio-D-ribulose 1-phosphoric acid(2-)

Database identifiers

PubChem CID: 329

Properties

Computed structural properties

XLogP: -2.4
Topological polar surface area: 150 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 15
Formal charge: 0
Complexity: 252

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