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100231-78-5 | Phosphonium, tetrakis(hydroxymethyl)-, phosphate (2:1) (salt) (9CI)
CAS No: 100231-78-5 Catalog No: AG0001AU MDL No:
Product Description
Catalog Number:
AG0001AU
Chemical Name:
Phosphonium, tetrakis(hydroxymethyl)-, phosphate (2:1) (salt) (9CI)
CAS Number:
100231-78-5
Molecular Formula:
C8H25O12P3
Molecular Weight:
406.1982
IUPAC Name:
hydrogen phosphate;tetrakis(hydroxymethyl)phosphanium
InChI:
InChI=1S/2C4H12O4P.H3O4P/c2*5-1-9(2-6,3-7)4-8;1-5(2,3)4/h2*5-8H,1-4H2;(H3,1,2,3,4)/q2*+1;/p-2
InChI Key:
KXXIADAVVAMKRK-UHFFFAOYSA-L
SMILES:
[O-]P(=O)(O)[O-].OC[P+](CO)(CO)CO.OC[P+](CO)(CO)CO
EC Number:
309-380-5
Properties
Complexity:
102
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.056g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
9
Isotope Atom Count:
0
Molecular Weight:
406.197g/mol
Monoisotopic Mass:
406.056g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
245A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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