L-Iditol

HCID 5460044CAS 24557-79-7

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Basic information

Standard SMILES: OC[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO
InChIKey: FBPFZTCFMRRESA-UNTFVMJOSA-N
Molecular formula: C6H14O6
Average molar mass: 182.17 g/mol
Monoisotopic mass: 182.07903816

Names & identifiers

Preferred name: L-Iditol
IUPAC: (2S,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol
English name: iditol
Molecular formula: C6H14O6
Molecular weight: 182.17

Names & synonyms

L-Iditol488-45-9Iditol(2S,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol1Q2H9GC12EIDITOL, L-CHEBI:18202DTXSID901337629RefChem:924417GlyTouCan:G62696AXCHEBI:24766DTXCID401768069

Show more names

Einecs 246-314-3

G62696AX610-436-9MFCD00064289L-IditL-Iditol, >=98%UNII-1Q2H9GC12ESCHEMBL435775(2S,3R,4R,5S)-hexane-1,2,3,4,5,6-hexaol

Database identifiers

CAS: 24557-79-7、488-45-9
PubChem CID: 5460044
DTXSID: DTXSID901337629
ChEBI: CHEBI:18202
UNII: 1Q2H9GC12E
EC Number: 246-314-3、610-436-9
Nikkaji: J92.811I

Properties

Computed structural properties

XLogP: -3.1
Topological polar surface area: 121 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 12
Formal charge: 0
Complexity: 105

Experimental & physicochemical properties

Physical Description · 2 items

Off-white to cream-colored solid; [Acros Organics MSDS]

Solid

Collision Cross Section129.61 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]；143 Å² [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]