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10152-42-8 | 1,2-Propanediol, 3-(hexadecyloxy)-, diacetate, (2R)- (9CI)
CAS No: 10152-42-8 Catalog No: AG0004PZ MDL No:
Product Description
Catalog Number:
AG0004PZ
Chemical Name:
1,2-Propanediol, 3-(hexadecyloxy)-, diacetate, (2R)- (9CI)
CAS Number:
10152-42-8
Molecular Formula:
C23H44O5
Molecular Weight:
400.5925
IUPAC Name:
acetic acid;(2R)-3-hexadecoxypropane-1,2-diol
InChI:
InChI=1S/C19H40O3.2C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-19(21)17-20;2*1-2(3)4/h19-21H,2-18H2,1H3;2*1H3,(H,3,4)/t19-;;/m1../s1
InChI Key:
RKGDFWCVUTWWQQ-JQDLGSOUSA-N
SMILES:
CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COC(=O)C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
436.34g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
436.63g/mol
Monoisotopic Mass:
436.34g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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