3,7,11,15,19,23,27,31,35,39,43-Undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl trihydrogen diphosphate

HCID 1121

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Basic information

CAS: 23-13-2
Standard SMILES: CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O
InChIKey: NTXGVHCCXVHYCL-UHFFFAOYSA-N
Molecular formula: C55H92O7P2
Average molar mass: 927.3 g/mol
Monoisotopic mass: 926.63182926

Overview

undecaprenyl diphosphate has been reported in Escherichia coli with data available.

Names & identifiers

Preferred name: 3,7,11,15,19,23,27,31,35,39,43-Undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl trihydrogen diphosphate
IUPAC: phosphono 3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenyl hydrogen phosphate

Names & synonyms

SCHEMBL30728862DTXSID009456893,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl trihydrogen diphosphateQ27123931

Database identifiers

CAS: 23-13-2、31867-59-1
PubChem CID: 1121
DTXSID: DTXSID00945689

Properties

Computed structural properties

XLogP: 17.4
Topological polar surface area: 113 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 35
Heavy atoms: 64
Formal charge: 0
Complexity: 1,800

Related reactions

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Compound notes

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