Sarmentosin epoxide

AlkaPlorer ID: AK046619

Synonym: '', 'Sarmentosin epoxide'

IUPAC Name: 2-(hydroxymethyl)-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxirane-2-carbonitrile

Structure

SMILES: N#CC1(CO)OC1CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

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InChI: InChI=1S/C11H17NO8/c12-3-11(4-14)6(20-11)2-18-10-9(17)8(16)7(15)5(1-13)19-10/h5-10,13-17H,1-2,4H2/t5-,6?,7-,8+,9-,10-,11?/m1/s1

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InChIKey: MGWCXJDKHMCXRL-YMGPVYFXSA-N

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Reference

PubChem CID: 441472

CAS: 81907-02-0

NPASS: NPC304572

Properties Information

Molecule Weight: 291.256

TPSA: 155.93

MolLogP: -3.54362

Number of H-Donors: 5

Number of H-Acceptors: 9

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information