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74948-73-5 | Methyl 2,3-O-Carbonyl-4,6-O-isopropylidene-α-D-mannopyranoside
CAS No: 74948-73-5 Catalog No: AG005FZH MDL No:
Product Description
Catalog Number:
AG005FZH
Chemical Name:
Methyl 2,3-O-Carbonyl-4,6-O-isopropylidene-α-D-mannopyranoside
CAS Number:
74948-73-5
Molecular Formula:
C11H16O7
Molecular Weight:
260.2405
IUPAC Name:
(1R,2S,6S,7S,9R)-7-methoxy-12,12-dimethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecan-4-one
InChI:
InChI=1S/C11H16O7/c1-11(2)14-4-5-6(18-11)7-8(9(13-3)15-5)17-10(12)16-7/h5-9H,4H2,1-3H3/t5-,6-,7+,8+,9+/m1/s1
InChI Key:
RZNBQFHZQVYTGA-DFTQBPQZSA-N
SMILES:
CO[C@H]1OC2COC(O[C@H]2[C@H]2[C@H]1OC(=O)O2)(C)C
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
260.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.242g/mol
Monoisotopic Mass:
260.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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