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2,3-isoprolylideneerthrofuranosyl 2,3-O-isopropylideneerythrofuranoside

HCID 149349
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Basic information

CAS
120142-89-4
Standard SMILES
CC1(C)O[C@@H]2[C@@H](O[C@H]3OC[C@@H]4OC(C)(C)O[C@H]34)OC[C@@H]2O1
InChIKey
FYSLGKYIBBTSLW-DCHHYWPUSA-N
Molecular formula
C14H22O7
Average molar mass
302.32 g/mol
Monoisotopic mass
302.13655304

Overview

structure given in first source

Names & identifiers

Preferred name
2,3-isoprolylideneerthrofuranosyl 2,3-O-isopropylideneerythrofuranoside
IUPAC
(3aS,4R,6aS)-4-[[(3aS,4R,6aS)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
English name
2,3-isoprolylideneerthrofuranosyl 2,3-O-isopropylideneerythrofuranoside
Molecular formula
C14H22O7
Molecular weight
302.32

Names & synonyms

2,3-Deie120142-89-42,3-Isoprolylideneerthrofuranosyl 2,3-O-isopropylideneerythrofuranoside2,3-O-Isopropylidene-beta-L-erythrofuranosyl 2,3-O-isopropylidene-beta-L-erythrofuranosideRefChem:81917(3aS,4R,6aS)-4-[[(3aS,4R,6aS)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxoleDTXSID809232434,4'-Oxybis(2,2-dimethyltetrahydro-2H-furo[3,4-d][1,3]dioxole)(3aS,3'aS,4R,4'R,6aS,6'aS)-4,4'-Oxybis(2,2-dimethyltetrahydro-2H-furo[3,4-d][1,3]dioxole)Furo(3,4-d)-1,3-dioxole, 4,4'-oxybis(tetrahydro-2,2-dimethyl-, (3aS-(3aalpha,4alpha(3'aR*,4'S*,6'aR*),6aalpha))-Furo[3,4-d]-1,3-dioxole, 4,4'-oxybis[tetrahydro-2,2-dimethyl-, [3aS-[3aα,4α(3'aR*,4'S*,6'aR*),6aα]]- (9CI)

Database identifiers

CAS
120142-89-4
PubChem CID
149349
DTXSID
DTXSID80923243

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
64.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
2
Heavy atoms
21
Formal charge
0
Complexity
386

Physicochemical properties

Melting point
116 · 116-117.5 °C(Solvent: Methanol; Water)
Boiling point
381.112 · 381.112±42.00 °C(Press: 760.00 Torr)(predicted)
Density
1.302 · 1.302±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

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Compound notes

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