Cas no 12441-09-7 (anhydro-)
anhydro- structure
Product Name:anhydro-
CAS No:12441-09-7
MF:C6H12O5
MW:164.156482696533
CID:181316
PubChem ID:103023
Update Time:2025-04-19
anhydro- Chemical and Physical Properties
Names and Identifiers
-
- anhydro-
- (3S)-2-(1,2-dihydroxyethyl)oxolane-3,4-diol
- 1,4-anhydro-D-glycero-hexitol
- 1,6-anhydrohexitol
- UNII-6O92ICV9RU
- Sorbitan
- D(-)-1,4-Sorbitan
- JNYAEWCLZODPBN-CTQIIAAMSA-N
- 12441-09-7
- Q898810
- 2-(hydroxymethyl)oxane-3,4,5-triol
- SCHEMBL1387
-
- Inchi： 1S/C6H12O5/c7-1-3(8)6-5(10)4(9)2-11-6/h3-10H,1-2H2/t3?,4?,5-,6?/m0/s1
- InChI Key： JNYAEWCLZODPBN-CTQIIAAMSA-N
- SMILES： O1CC([C@@H](C1C(CO)O)O)O
Computed Properties
- Exact Mass: 164.06846
- Monoisotopic Mass: 164.06847348g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 128
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.1
- Topological Polar Surface Area: 90.2?2
Experimental Properties
- PSA: 90.15
anhydro- Related Literature
-
Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
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