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132063-03-7 | D-Gluconimidic acid, 2-(acetylamino)-2-deoxy-N-hydroxy-4,6-O-[(R)-phenylmethylene]-, δ-lactone (9CI)
CAS No: 132063-03-7 Catalog No: AG00104M MDL No:
Product Description
Catalog Number:
AG00104M
Chemical Name:
D-Gluconimidic acid, 2-(acetylamino)-2-deoxy-N-hydroxy-4,6-O-[(R)-phenylmethylene]-, δ-lactone (9CI)
CAS Number:
132063-03-7
Molecular Formula:
C15H18N2O6
Molecular Weight:
322.3132
IUPAC Name:
N-[(4aR,6E,7R,8R,8aS)-8-hydroxy-6-hydroxyimino-2-phenyl-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-yl]acetamide
InChI:
InChI=1S/C15H18N2O6/c1-8(18)16-11-12(19)13-10(22-14(11)17-20)7-21-15(23-13)9-5-3-2-4-6-9/h2-6,10-13,15,19-20H,7H2,1H3,(H,16,18)/b17-14+/t10-,11-,12-,13-,15?/m1/s1
InChI Key:
PIYCZWMJRKZNLW-FLUMURSESA-N
SMILES:
ON=C1OC2COC(O[C@H]2C(C1NC(=O)C)O)c1ccccc1
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
1
Exact Mass:
322.116g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
322.317g/mol
Monoisotopic Mass:
322.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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