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204195-38-0 | L-threo-Pentonic acid, 2,4,5-trideoxy-4-[[(1,1-dimethylethoxy)carbonyl]amino]-5-[4-(phenylmethoxy)phenyl]-
CAS No: 204195-38-0 Catalog No: AG0029BS MDL No:MFCD00270193
Product Description
Catalog Number:
AG0029BS
Chemical Name:
L-threo-Pentonic acid, 2,4,5-trideoxy-4-[[(1,1-dimethylethoxy)carbonyl]amino]-5-[4-(phenylmethoxy)phenyl]-
CAS Number:
204195-38-0
Molecular Formula:
C23H29NO6
Molecular Weight:
415.4795
MDL Number:
MFCD00270193
IUPAC Name:
(3S,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylmethoxyphenyl)pentanoic acid
InChI:
InChI=1S/C23H29NO6/c1-23(2,3)30-22(28)24-19(20(25)14-21(26)27)13-16-9-11-18(12-10-16)29-15-17-7-5-4-6-8-17/h4-12,19-20,25H,13-15H2,1-3H3,(H,24,28)(H,26,27)/t19-,20-/m0/s1
InChI Key:
QYPPYPBSORZTKU-PMACEKPBSA-N
SMILES:
O[C@H]([C@H](Cc1ccc(cc1)OCc1ccccc1)NC(=O)OC(C)(C)C)CC(=O)O
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
415.199g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
415.486g/mol
Monoisotopic Mass:
415.199g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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