neocarrabiose sulfate

Chemical Formula:

C₁₂H₁₉O₁₃S

Molecular Weight:

403.334 Daltons

Monoisotopic Mass:

404.0624614193 Daltons

SMILES:

C(O)C1(OC(O)C(O)C(C(OS(=O)([O-])=O)1)OC2(OC3(COC(C(O)2)C3O)))

InChI:

1S/C12H20O13S/c13-1-3-8(25-26(18,19)20)10(6(15)11(17)22-3)24-12-7(16)9-5(14)4(23-12)2-21-9/h3-17H,1-2H2,(H,18,19,20)/p-1/t3-,4-,5+,6-,7-,8+,9+,10-,11-,12-/m1/s1

InChIKey:

OGFGYTRGDDWUKC-YBFCQOOYSA-M

Synonyms

3,6-anhydro-α-D-galactopyranosyl-(1→3)-4-O-sulfo-D-galactose

Databases

MetaCyc: CPD-13445

PubChem (CID): 54758597

MetaNetX: MNXM8938