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14595-22-3

14595-22-3 | α-Normuramic acid, N-acetyl-1-O-(phenylmethyl)-4,6-O-(phenylmethylene)- (9CI)

CAS No: 14595-22-3 Catalog No: AG001DJH MDL No:

Product Description

Catalog Number:
AG001DJH
Chemical Name:
α-Normuramic acid, N-acetyl-1-O-(phenylmethyl)-4,6-O-(phenylmethylene)- (9CI)
CAS Number:
14595-22-3
IUPAC Name:
2-[[(4aR,6S,7R,8R,8aS)-7-acetamido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]acetic acid
InChI:
InChI=1S/C24H27NO8/c1-15(26)25-20-22(29-14-19(27)28)21-18(13-31-23(33-21)17-10-6-3-7-11-17)32-24(20)30-12-16-8-4-2-5-9-16/h2-11,18,20-24H,12-14H2,1H3,(H,25,26)(H,27,28)/t18-,20-,21-,22-,23?,24+/m1/s1
InChI Key:
KBBGPRDVHUWBLB-WGADNOCBSA-N

Properties

Complexity:
648  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
457.174g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
457.479g/mol
Monoisotopic Mass:
457.174g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

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