Cas no 52085-70-8 (D-glycero-D-ido-Heptonicacid, d-lactone)
52085-70-8 structure
Product Name:D-glycero-D-ido-Heptonicacid, d-lactone
CAS No:52085-70-8
MF:C7H12O7
MW:208.165983200073
CID:373912
PubChem ID:104074
Update Time:2025-04-19
D-glycero-D-ido-Heptonicacid, d-lactone Chemical and Physical Properties
Names and Identifiers
-
- D-glycero-D-ido-Heptonicacid, d-lactone
- D-glycero-D-ido-heptono-.delta.-lactone
- (3S,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2H-pyran-2-one (non-preferred name)
- D-Glycero-D-ido-Heptonic acid, delta-lactone
- DTXSID601273680
- NS00125439
- 52085-70-8
- EINECS 257-653-1
-
- Inchi: 1S/C7H12O7/c8-1-2(9)6-4(11)3(10)5(12)7(13)14-6/h2-6,8-12H,1H2/t2-,3-,4-,5+,6-/m1/s1
- InChI Key: SUNCWTXGGFSVJR-DGPNFKTASA-N
- SMILES: O1C([C@H]([C@@H]([C@H]([C@H]1[C@@H](CO)O)O)O)O)=O
Computed Properties
- Exact Mass: 208.058
- Monoisotopic Mass: 208.058
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 44
- Rotatable Bond Count: 38
- Complexity: 543
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 16.2
- Topological Polar Surface Area: 127?2
Experimental Properties
- Density: 1.801
- Boiling Point: 540.7°Cat760mmHg
- Flash Point: 225.3°C
- Refractive Index: 1.644
D-glycero-D-ido-Heptonicacid, d-lactone Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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