Compound Summary for: CID 56951723

Molecular Formula: C10H15O12P   Molecular Weight: 358.192662   InChIKey: OTYPKFYVKMAHQN-UHFFFAOYSA-N
Compound Information
CID 56951723
Create Date: 2012-05-01
Suppressed Compound
Properties and Descriptors
Properties
Molecular Weight 358.192662 [g/mol]
Molecular FormulaC10H15O12P
XLogP3-AA-1.3
H-Bond Donor1
H-Bond Acceptor12
Rotatable Bond Count16
Exact Mass358.030113
MonoIsotopic Mass358.030113
Topological Polar Surface Area161
Heavy Atom Count23
Formal Charge0
Complexity379
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Descriptors
IUPAC Name[3-[2,3-diformyloxypropoxy(hydroxy)phosphoryl]oxy-2-formyloxypropyl] formate
InChIInChI=1S/C10H15O12P/c11-5-17-1-9(19-7-13)3-21-23(15,16)22-4-10(20-8-14)2-18-6-12/h5-10H,1-4H2,(H,15,16)
InChIKeyOTYPKFYVKMAHQN-UHFFFAOYSA-N
Canonical SMILESC(C(COP(=O)(O)OCC(COC=O)OC=O)OC=O)OC=O
Isomeric SMILESC(C(COP(=O)(O)OCC(COC=O)OC=O)OC=O)OC=O
Old Version Substance Information