CAS
93893-95-9 Purity
96%
93893-95-9 Purity
96%
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Dianhydro-D-glucitol hydrogen adipate
CAS
93893-99-3
Catalog Number
ACM93893993
Category
Other Products
Molecular Weight
274.267120 [g/mol]
Molecular Formula
C12H18O7
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Specification
Synonyms
EINECS 299-692-7, Dianhydro-D-glucitol hydrogen adipate, 93893-99-3
IUPAC Name
6-[[(3S,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-oxohexanoic acid
Canonical SMILES
C1C(C2C(O1)C(CO2)OC(=O)CCCCC(=O)O)O
InChI Key
OPJJGJSABZUPPN-JTRYMVSWSA-N
EC Number
299-692-7
Exact Mass
274.10500
H-Bond Acceptor
7
H-Bond Donor
2
What is the molecular formula of Dianhydro-D-glucitol hydrogen adipate?
The molecular formula is C12H18O7.
What are the synonyms for Dianhydro-D-glucitol hydrogen adipate?
The synonyms are EINECS 299-692-7, Dianhydro-D-glucitol hydrogen adipate, 93893-99-3, DTXSID40917264, and 1,4:3,6-Dianhydro-2-O-(5-carboxypentanoyl)hexitol.
What is the molecular weight of Dianhydro-D-glucitol hydrogen adipate?
The molecular weight is 274.27 g/mol.
What is the IUPAC name of Dianhydro-D-glucitol hydrogen adipate?
The IUPAC name is 6-[[(3S,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-oxohexanoic acid.
What is the InChI of Dianhydro-D-glucitol hydrogen adipate?
The InChI is InChI=1S/C12H18O7/c13-7-5-17-12-8(6-18-11(7)12)19-10(16)4-2-1-3-9(14)15/h7-8,11-13H,1-6H2,(H,14,15)/t7-,8+,11+,12+/m0/s1.
What is the InChIKey of Dianhydro-D-glucitol hydrogen adipate?
The InChIKey is OPJJGJSABZUPPN-JTRYMVSWSA-N.
What is the Canonical SMILES of Dianhydro-D-glucitol hydrogen adipate?
The Canonical SMILES is C1C(C2C(O1)C(CO2)OC(=O)CCCCC(=O)O).
What is the Isomeric SMILES of Dianhydro-D-glucitol hydrogen adipate?
The Isomeric SMILES is C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)OC(=O)CCCCC(=O)O).
What is the CAS number of Dianhydro-D-glucitol hydrogen adipate?
The CAS number is 93893-99-3.
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