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204316-31-4 | L-threo-Pentonic acid, 2,4,5-trideoxy-4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, compd. with N-cyclohexylcyclohexanamine (1:1) (9CI)
CAS No: 204316-31-4 Catalog No: AG0029EH MDL No:MFCD00270200
Product Description
Catalog Number:
AG0029EH
Chemical Name:
L-threo-Pentonic acid, 2,4,5-trideoxy-4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, compd. with N-cyclohexylcyclohexanamine (1:1) (9CI)
CAS Number:
204316-31-4
Molecular Formula:
C20H21NO5
Molecular Weight:
355.3844
MDL Number:
MFCD00270200
IUPAC Name:
N-cyclohexylcyclohexanamine;(3S,4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid
InChI:
InChI=1S/C20H21NO5.C12H23N/c1-12(18(22)10-19(23)24)21-20(25)26-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h2-9,12,17-18,22H,10-11H2,1H3,(H,21,25)(H,23,24);11-13H,1-10H2/t12-,18-;/m0./s1
InChI Key:
DSGYIRJRLJBSRN-FQKOOVENSA-N
SMILES:
OC(=O)C[C@@H]([C@@H](NC(=O)OCC1c2ccccc2c2c1cccc2)C)O
Properties
Complexity:
605
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
536.325g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
536.713g/mol
Monoisotopic Mass:
536.325g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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