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2484-54-0 | α-L-Sorbofuranose, 2,3-O-(1-methylethylidene)-, 6-(4-methylbenzenesulfonate)
CAS No: 2484-54-0 Catalog No: AG002PMF MDL No:
Product Description
Catalog Number:
AG002PMF
Chemical Name:
α-L-Sorbofuranose, 2,3-O-(1-methylethylidene)-, 6-(4-methylbenzenesulfonate)
CAS Number:
2484-54-0
Molecular Formula:
C16H22O8S
Molecular Weight:
374.4061
IUPAC Name:
[(3aS,5S,6aR)-6-hydroxy-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]methyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C16H22O8S/c1-10-4-6-11(7-5-10)25(19,20)21-8-12-13(18)14-16(9-17,22-12)24-15(2,3)23-14/h4-7,12-14,17-18H,8-9H2,1-3H3/t12-,13?,14+,16-/m0/s1
InChI Key:
BPANMSDDTZZEDD-RUKJTKARSA-N
SMILES:
OC[C@]12O[C@H](C([C@H]2OC(O1)(C)C)O)COS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
374.104g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
374.404g/mol
Monoisotopic Mass:
374.104g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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