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180336-28-1 | D-lyxo-Hept-2-enonimidic acid, 2,6-anhydro-3-deoxy-, methyl ester (9CI)
CAS No: 180336-28-1 Catalog No: AG0021WI MDL No:
Product Description
Catalog Number:
AG0021WI
Chemical Name:
D-lyxo-Hept-2-enonimidic acid, 2,6-anhydro-3-deoxy-, methyl ester (9CI)
CAS Number:
180336-28-1
Molecular Formula:
C8H13NO5
Molecular Weight:
203.1925
IUPAC Name:
methyl (2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-carboximidate
InChI:
InChI=1S/C8H13NO5/c1-13-8(9)5-2-4(11)7(12)6(3-10)14-5/h2,4,6-7,9-12H,3H2,1H3/t4-,6-,7-/m1/s1
InChI Key:
ZZYBFRMUWNOGKV-QPPQHZFASA-N
SMILES:
OC[C@H]1OC(=C[C@H]([C@H]1O)O)C(=N)OC
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
203.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
203.194g/mol
Monoisotopic Mass:
203.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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