Cas no 1069-00-7 (D-glycero-D-gulo-Heptitol,rel-)
1069-00-7 structure
Product Name:D-glycero-D-gulo-Heptitol,rel-
D-glycero-D-gulo-Heptitol,rel- Chemical and Physical Properties
Names and Identifiers
-
- D-glycero-D-gulo-Heptitol,rel-
- 1,3,5-Cycloheptatriene, 1,2,3,4,5,6,7-heptamethyl-
- 1.2.3.4.5.6.7-Heptamethyl-cycloheptatrien-(1.3.5)
- CTK1E1004
- d-Gluco-d-heptit
- D-glycero-D-gulo-Heptit
- heptamethylcycloheptatriene
- Heptamethyltropiliden
- heptamethyltropylidene
- heptamethyl-tropylidene
- Heptan-1,2rF,3cF,4tF,5cF,6cF,7-heptaol
- Heptan-heptol-(1.2.3.4.5.6.7)
- meso-D-glycero-D-gulo-heptitol
- D-GLYCERO-L-GULO-HEPTITOL
- CS-0498458
- KBioSS_000746
- ZINC03979003
- 3343-95-1
- KBioGR_001940
- Heptitol
- HY-N10374
- Heptitol #
- KBio3_001741
- Spectrum3_000711
- CHEMBL1597273
- Spectrum5_000040
- a-Mannoheptitol
- AKOS024319424
- NSC224284
- Persitol
- Spectrum4_001530
- Peracitol
- SPECTRUM202130
- SCHEMBL678226
- KBio2_005882
- meso-glycero-gulo-Heptitol
- NSC111937
- KBio2_000746
- NSC-1665
- 1069-00-7
- alpha-Glucoheptitol
- NCGC00095934-02
- NSC-1976
- .alpha.-Glucoheptitol
- PERSEITOL (D)
- BSPBio_002521
- SR-05000002454-1
- Spectrum2_001756
- CCG-38807
- DTXSID50871742
- NSC-111937
- D-Glycero-D-galacto-heptitol
- SPBio_001892
- NCGC00095934-01
- OXQKEKGBFMQTML-UHFFFAOYSA-N
- CHEBI:176747
- DivK1c_006341
- heptane-1,2,3,4,5,6,7-heptol
- Spectrum_000266
- a heptitol
- NSC-224284
- D-glycero-D-gulo-Heptitol
- SR-05000002454
- D-glycero-D-gulo-Heptatole
- KBio1_001285
- NSC1665
- glycero-gulo-Heptitol, meso-
- NSC1976
- SpecPlus_000245
- KBio2_003314
-
- Inchi： 1S/C7H16O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3-14H,1-2H2
- InChI Key： OXQKEKGBFMQTML-UHFFFAOYSA-N
- SMILES： OC(C(C(CO)O)O)C(C(CO)O)O
Computed Properties
- Exact Mass: 212.089603
- Monoisotopic Mass: 212.089603
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 137
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: _3.7
- Topological Polar Surface Area: 142
Experimental Properties
- Density: 1.651
- Melting Point: 187-188°C
- Boiling Point: 625.1°Cat760mmHg
- Flash Point: 319°C
- PSA: 141.61000
- LogP: -4.22450
D-glycero-D-gulo-Heptitol,rel- Related Literature
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Tímea Kaszás,Marietta Tóth,László Somsák New J. Chem. 2017 41 13871
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Guo-Liang Zhang,Xiu-Jing Zheng,Li-He Zhang,Xin-Shan Ye Med. Chem. Commun. 2011 2 909
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Tímea Kaszás,Ivett Cservenyák,éva Juhász-Tóth,Andrea E. Kulcsár,Paola Granatino,Ulf J. Nilsson,László Somsák,Marietta Tóth Org. Biomol. Chem. 2021 19 605
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4. 708. Aspects of stereochemistry. Part VII. The structure of some cyclic acetals of D-glycero-D-gluco-heptitol (β-sedoheptitol)K. W. Buck,A. B. Foster,N. K. Richtmyer,E. Zissis J. Chem. Soc. 1961 3633
-
5. 708. Aspects of stereochemistry. Part VII. The structure of some cyclic acetals of D-glycero-D-gluco-heptitol (β-sedoheptitol)K. W. Buck,A. B. Foster,N. K. Richtmyer,E. Zissis J. Chem. Soc. 1961 3633
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