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sulfonate arsenosugar

PropertiesImage
MNX_IDMNXM1132401 Image of MNXM1132401
referencemetacycM:CPD-23521
formulaC10H20AsO9S
global charge-1
mol weight391.25
InChIKeyKSWXPPREIUKIQL-BHRXDNSCSA-M
InChIInChI=1S/C10H21AsO9S/c1-11(2,15)3-7-8(13)9(14)10(20-7)19-4-6(12)5-21(16,17)18/h6-10,12-14H,3-5H2,1-2H3,(H,16,17,18)/p-1/t6?,7-,8-,9-,10-/m1/s1
SMILESC[As](C)(=O)C[C@H]1O[C@@H](OCC(O)CS(=O)(=O)[O-])[C@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C10H21AsO9S/c1-11(2,15)3-7-8(13)9(14)10(20-7)19-4-6(12)5-21(16,17)18/h6-10,12-14H,3-5H2,1-2H3,(H,16,17,18)/t6?,7-,8-,9-,10-/m1/s1 Image of MNXM1132401
SMILES (mnx)[CH3:1][As:11]([CH3:2])([CH2:3][C@@H:7]1[C@@H:8]([OH:13])[C@@H:9]([OH:14])[C@H:10]([O:19][CH2:4][CH:6]([CH2:5][S:21]([OH:16])(=[O:17])=[O:18])[OH:12])[O:20]1)=[O:15]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-23521
metacycM:CPD-23521
KSWXPPREIUKIQL-BHRXDNSCSA-M
sulfonate arsenosugar