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210297-54-4 | α-D-Mannopyranoside, methyl 3-O-(phenylmethyl)-4,6-O-(phenylmethylene)-2-O-2-propen-1-yl-
CAS No: 210297-54-4 Catalog No: AG002KOH MDL No:
Product Description
Catalog Number:
AG002KOH
Chemical Name:
α-D-Mannopyranoside, methyl 3-O-(phenylmethyl)-4,6-O-(phenylmethylene)-2-O-2-propen-1-yl-
CAS Number:
210297-54-4
Molecular Formula:
C24H28O6
Molecular Weight:
412.4755
IUPAC Name:
(4aR,6S,7S,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-7-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
InChI:
InChI=1S/C24H28O6/c1-3-14-26-22-21(27-15-17-10-6-4-7-11-17)20-19(29-24(22)25-2)16-28-23(30-20)18-12-8-5-9-13-18/h3-13,19-24H,1,14-16H2,2H3/t19-,20-,21+,22+,23?,24+/m1/s1
InChI Key:
YFGKDDPSSKUWEG-NBOVQHNFSA-N
SMILES:
C=CCO[C@@H]1[C@@H](OC)O[C@@H]2[C@@H]([C@H]1OCc1ccccc1)O[C@@H](OC2)c1ccccc1
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
412.189g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
412.482g/mol
Monoisotopic Mass:
412.189g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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