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16697-49-7 | β-D-Mannopyranose, 1,2-O-(1-methoxyethylidene)-3,4,6-tris-O-(phenylmethyl)-
CAS No: 16697-49-7 Catalog No: AG001X2V MDL No:
Product Description
Catalog Number:
AG001X2V
Chemical Name:
β-D-Mannopyranose, 1,2-O-(1-methoxyethylidene)-3,4,6-tris-O-(phenylmethyl)-
CAS Number:
16697-49-7
Molecular Formula:
C30H34O7
Molecular Weight:
506.5868
IUPAC Name:
(3aS,5R,6R,7S,7aS)-2-methoxy-2-methyl-6,7-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran
InChI:
InChI=1S/C30H34O7/c1-30(31-2)36-28-27(34-20-24-16-10-5-11-17-24)26(33-19-23-14-8-4-9-15-23)25(35-29(28)37-30)21-32-18-22-12-6-3-7-13-22/h3-17,25-29H,18-21H2,1-2H3/t25-,26-,27+,28+,29+,30?/m1/s1
InChI Key:
SCDVHQXHQOSKCS-LGPOITBMSA-N
SMILES:
COC1(C)O[C@H]2[C@H](O1)[C@@H](OCc1ccccc1)[C@@H](C(O2)COCc1ccccc1)OCc1ccccc1
Properties
Complexity:
658
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
506.23g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
506.595g/mol
Monoisotopic Mass:
506.23g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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