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16667-96-2 | α-D-Glucofuranose, 1,2:5,6-bis-O-(1-methylethylidene)-, 3-(S-methyl carbonodithioate)
CAS No: 16667-96-2 Catalog No: AG001WVV MDL No:MFCD15144987
Product Description
Catalog Number:
AG001WVV
Chemical Name:
α-D-Glucofuranose, 1,2:5,6-bis-O-(1-methylethylidene)-, 3-(S-methyl carbonodithioate)
CAS Number:
16667-96-2
Molecular Formula:
C14H22O6S2
Molecular Weight:
350.4509
MDL Number:
MFCD15144987
IUPAC Name:
O-[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] methylsulfanylmethanethioate
InChI:
InChI=1S/C14H22O6S2/c1-13(2)15-6-7(18-13)8-9(17-12(21)22-5)10-11(16-8)20-14(3,4)19-10/h7-11H,6H2,1-5H3/t7-,8-,9+,10-,11-/m1/s1
InChI Key:
ABYFQWZWTAVGKO-KAMPLNKDSA-N
SMILES:
CSC(=S)O[C@@H]1[C@H](O[C@H]2[C@H]1OC(O2)(C)C)C1COC(O1)(C)C
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
350.086g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.444g/mol
Monoisotopic Mass:
350.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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