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871948-93-5 | 1,2-Hexanediol,3-[bis(phenylmethyl)amino]-5-methyl-, 1-acetate, (2R,3S)-
CAS No: 871948-93-5 Catalog No: AG004JYG MDL No:
Product Description
Catalog Number:
AG004JYG
Chemical Name:
1,2-Hexanediol,3-[bis(phenylmethyl)amino]-5-methyl-, 1-acetate, (2R,3S)-
CAS Number:
871948-93-5
Molecular Formula:
C23H31NO3
Molecular Weight:
369.4971
IUPAC Name:
[(2R,3S)-3-(dibenzylamino)-2-hydroxy-5-methylhexyl] acetate
InChI:
InChI=1S/C23H31NO3/c1-18(2)14-22(23(26)17-27-19(3)25)24(15-20-10-6-4-7-11-20)16-21-12-8-5-9-13-21/h4-13,18,22-23,26H,14-17H2,1-3H3/t22-,23-/m0/s1
InChI Key:
LWTGIEFUTRCWQS-GOTSBHOMSA-N
SMILES:
CC(C[C@H](N(Cc1ccccc1)Cc1ccccc1)[C@H](COC(=O)C)O)C
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
369.23g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
369.505g/mol
Monoisotopic Mass:
369.23g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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