Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017908

Phytochemical name: (2R)-2,3-Dihydroxypropyl 5-deoxy-5-(dimethylarsinyl)-beta-D-ribofuranoside

Synonymous chemical names:
(2R)-2,3-Dihydroxypropyl 5-deoxy-5-(dimethylarsinyl)-beta-D-ribofuranoside

External chemical identifiers:
CID:CID_11198221

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Chemical structure information

SMILES:
OC[C@H](CO[C@@H]1O[C@@H]([C@H]([C@H]1O)O)C[As](=O)(C)C)O

InChI:
InChI=1S/C10H21AsO7/c1-11(2,16)3-7-8(14)9(15)10(18-7)17-5-6(13)4-12/h6-10,12-15H,3-5H2,1-2H3/t6-,7-,8-,9-,10-/m1/s1

InChIKey:
GPGHDFGTUWSQOQ-VVULQXIFSA-N

DeepSMILES:
OC[C@H]CO[C@@H]O[C@@H][C@H][C@H]5O))O))C[As]=O)C)C))))))))O

Functional groups:
CO, CO[C@@H](C)OC, C[As](C)(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCOC1

Scaffold Graph/Node level:
C1CCOC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbohydrates and carbohydrate conjugates

NP-Likeness score: 1.631

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Chemical structure download