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128948-01-6 | Acetic acid, 2-[(S)-[(1R)-2-methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]-
CAS No: 128948-01-6 Catalog No: AG000YOP MDL No:
Product Description
Catalog Number:
AG000YOP
Chemical Name:
Acetic acid, 2-[(S)-[(1R)-2-methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]-
CAS Number:
128948-01-6
Molecular Formula:
C19H29O6P
Molecular Weight:
384.4037
IUPAC Name:
2-[[(1R)-2-methyl-1-propanoyloxypropoxy]-(4-phenylbutyl)phosphoryl]acetic acid
InChI:
InChI=1S/C19H29O6P/c1-4-18(22)24-19(15(2)3)25-26(23,14-17(20)21)13-9-8-12-16-10-6-5-7-11-16/h5-7,10-11,15,19H,4,8-9,12-14H2,1-3H3,(H,20,21)/t19-,26?/m1/s1
InChI Key:
BGHVPSAAFKIBID-ICCFGIFFSA-N
SMILES:
CCC(=O)O[C@@H](C(C)C)O[P@](=O)(CC(=O)O)CCCCc1ccccc1
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
384.17g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
384.409g/mol
Monoisotopic Mass:
384.17g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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