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115914-67-5 | Diphosphoric acid, P-[2-(2-methyl-2-oxiranyl)ethyl] ester
CAS No: 115914-67-5 Catalog No: AG000H3D MDL No:
Product Description
Catalog Number:
AG000H3D
Chemical Name:
Diphosphoric acid, P-[2-(2-methyl-2-oxiranyl)ethyl] ester
CAS Number:
115914-67-5
Molecular Formula:
C5H9O8P2---
Molecular Weight:
259.0677
IUPAC Name:
[2-(2-methyloxiran-2-yl)ethoxy-oxidophosphoryl] phosphate
InChI:
InChI=1S/C5H12O8P2/c1-5(4-11-5)2-3-12-15(9,10)13-14(6,7)8/h2-4H2,1H3,(H,9,10)(H2,6,7,8)/p-3
InChI Key:
WLFNNTMKXNXSKE-UHFFFAOYSA-K
SMILES:
CC1(CCOP(=O)(OP(=O)([O-])[O-])[O-])OC1
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.977g/mol
Formal Charge:
-3
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.067g/mol
Monoisotopic Mass:
258.977g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.7
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