Cas no 111136-25-5 (5-Cyclohexene-1,2,3,4-tetrol,5-(hydroxymethyl)-, (1S,2S,3S,4R)-)
111136-25-5 structure
Product Name:5-Cyclohexene-1,2,3,4-tetrol,5-(hydroxymethyl)-, (1S,2S,3S,4R)-
CAS No:111136-25-5
MF:C7H12O5
MW:176.167182922363
CID:197827
PubChem ID:5288564
Update Time:2025-04-19
5-Cyclohexene-1,2,3,4-tetrol,5-(hydroxymethyl)-, (1S,2S,3S,4R)- Chemical and Physical Properties
Names and Identifiers
-
- 5-Cyclohexene-1,2,3,4-tetrol,5-(hydroxymethyl)-, (1S,2S,3S,4R)-
- (1S,2S,3S,4R)-5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol
- (+)-Streptol
- 5-Cyclohexene-1,2,3,4-tetrol,5-(hydroxymethyl)-, [1S-(1a,2a,3b,4a)]-
- Streptol
- Valienol
- Streptol, (+)-
- CHEMBL1233349
- Q7911688
- NS00070658
- (1S,2S,3S,4R)-5-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol
- DTXSID50415342
- CHEBI:213344
- 5-Cyclohexene-1,2,3,4-tetrol, 5-(hydroxymethyl)-, [1S-(1alpha,2alpha,3beta,4alpha)]-
- 5-Cyclohexene-1,2,3,4-tetrol, 5-(hydroxymethyl)-, (1S,2S,3S,4R)-
- DB03092
- 5-HYDROXYMETHYL-CHONDURITOL
- J5344DZ89S
- 111136-25-5
-
- Inchi： 1S/C7H12O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1,4-12H,2H2/t4-,5+,6-,7-/m0/s1
- InChI Key： PJPGMULJEYSZBS-VZFHVOOUSA-N
- SMILES： O[C@H]1[C@@H](C(CO)=C[C@@H]([C@@H]1O)O)O
Computed Properties
- Exact Mass: 176.06846
- Monoisotopic Mass: 176.06847348g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 190
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.9
- Topological Polar Surface Area: 101?2
Experimental Properties
- PSA: 101.15
5-Cyclohexene-1,2,3,4-tetrol,5-(hydroxymethyl)-, (1S,2S,3S,4R)- Related Literature
-
Jongtae Yang,Hui Xu,Yirong Zhang,Linquan Bai,Zixin Deng,Taifo Mahmud Org. Biomol. Chem. 2011 9 438
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Jongtae Yang,Hui Xu,Yirong Zhang,Linquan Bai,Zixin Deng,Taifo Mahmud Org. Biomol. Chem. 2011 9 438
-
Allam Vinaykumar,Banothu Surender,Batchu Venkateswara Rao RSC Adv. 2023 13 22824
-
Xing Yang,Po Yuan,Feng Shui,Yuqin Zhou,Xiaochuan Chen Org. Biomol. Chem. 2019 17 4061
-
Soumik Mondal,Kana M. Sureshan Org. Biomol. Chem. 2014 12 7279
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