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137391-68-5 | 2-Azetidinebutanoic-α-14C acid, α-diazo-3-(1-hydroxyethyl)-γ-methyl-β,4-dioxo-, (4-nitrophenyl)methyl ester, [2R-[2α(R*),3β(R*)]]- (9CI)
CAS No: 137391-68-5 Catalog No: AG00137V MDL No:
Product Description
Catalog Number:
AG00137V
Chemical Name:
2-Azetidinebutanoic-α-14C acid, α-diazo-3-(1-hydroxyethyl)-γ-methyl-β,4-dioxo-, (4-nitrophenyl)methyl ester, [2R-[2α(R*),3β(R*)]]- (9CI)
CAS Number:
137391-68-5
Molecular Formula:
C17H18N4O7
Molecular Weight:
390.3474
IUPAC Name:
(4-nitrophenyl)methyl (4R)-2-diazo-4-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]-3-oxopentanoate
InChI:
InChI=1S/C17H18N4O7/c1-8(13-12(9(2)22)16(24)19-13)15(23)14(20-18)17(25)28-7-10-3-5-11(6-4-10)21(26)27/h3-6,8-9,12-13,22H,7H2,1-2H3,(H,19,24)/t8-,9-,12-,13-/m1/s1
InChI Key:
FDXUXRZSNNSUGD-NRMKKVEVSA-N
SMILES:
[N-]=[N+]=C(C(=O)[C@@H]([C@H]1NC(=O)[C@@H]1[C@H](O)C)C)C(=O)OCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
705
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
390.118g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
390.352g/mol
Monoisotopic Mass:
390.118g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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