Cas no 15892-28-1 ((3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-one (non-preferred name))
15892-28-1 structure
Product Name:(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-one (non-preferred name)
CAS No:15892-28-1
MF:C6H10O6
MW:178.140002727509
CID:1337886
PubChem ID:439781
Update Time:2025-04-20
(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-one (non-preferred name) Chemical and Physical Properties
Names and Identifiers
-
- (3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-one (non-preferred name)
- 3vdb
- CHEBI:15945
- D-Galactono-1,5-lactone
- D-GALCTOPYRANOSYL-1-ON
- 3t09
- DTXSID401313563
- D-galactonolactone
- SCHEMBL2461264
- (3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one
- DB01885
- Q27098313
- 3mv0
- C02669
- 3i3b
- 15892-28-1
- 3t0d
- 3t2q
- 2,3,4,6-Tetrakis-O-(phenylmethyl)-D-galactonic Acid ?-Lactone;
- D-galactonic acid delta-lactone
- (3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-one
- D-Galactono-8-lactone
- NS00069552
-
- Inchi: 1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3+,4+,5-/m1/s1
- InChI Key: PHOQVHQSTUBQQK-MGCNEYSASA-N
- SMILES: O1C([C@@H]([C@H]([C@H]([C@H]1CO)O)O)O)=O
Computed Properties
- Exact Mass: 178.048
- Monoisotopic Mass: 178.048
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 181
- 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
- Topological Polar Surface Area: 107?2
Experimental Properties
- Density: 1.72
- Boiling Point: 446.4°C at 760 mmHg
- Flash Point: 192.3°C
- Refractive Index: 1.607
(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-one (non-preferred name) Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
15892-28-1 ((3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-one (non-preferred name)) Related Products
- 90-80-2(D-(+)-Glucono-1,5-lactone)
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- 87-91-2((+)-Diethyl L-tartrate)
- 13811-71-7(Diethyl D-(-)-Tartrate)
- 7554-12-3(Diethyl DL-Malate)
- 62961-64-2(D-(-)-Diisopropyl Tartrate)
- 1128-23-0(L-Gulono-1,4-lactone)
- 2217-15-4((+)-Diisopropyl L-Tartrate)
- 7554-28-1(Diethyl D-Malate)
- 691-84-9(Diethyl L-(-)-Malate)
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