Cas no 105708-56-3 (D-Arabinonic acid,2,3,5-trideoxy-2-[2-formyl-5-(hydroxymethyl)-1H-pyrrol-1-yl]-3-methyl-, g-lactone)
![D-Arabinonic acid,2,3,5-trideoxy-2-[2-formyl-5-(hydroxymethyl)-1H-pyrrol-1-yl]-3-methyl-, g-lactone structure](https://ossimg.kuujia.com/scimg/106000/105708-56-3x500.png)
105708-56-3 structure
Product Name:D-Arabinonic acid,2,3,5-trideoxy-2-[2-formyl-5-(hydroxymethyl)-1H-pyrrol-1-yl]-3-methyl-, g-lactone
CAS No:105708-56-3
MF:C12H15NO4
MW:237.251803636551
CID:205787
PubChem ID:147089
Update Time:2025-04-19
D-Arabinonic acid,2,3,5-trideoxy-2-[2-formyl-5-(hydroxymethyl)-1H-pyrrol-1-yl]-3-methyl-, g-lactone Chemical and Physical Properties
Names and Identifiers
-
- D-Arabinonic acid,2,3,5-trideoxy-2-[2-formyl-5-(hydroxymethyl)-1H-pyrrol-1-yl]-3-methyl-, g-lactone
- 1-[(3S,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]-5-(hydroxymethyl)pyrrole-2-carbaldehyde
- D-Arabinonic acid,2,3,5-trideoxy-2-[2-formyl-5-(hydroxymethyl)-1H-pyrrol-1-yl]-3-methyl-, g-la...
- funebral
- (3S-(3alpha,4beta,5alpha))-5-(Hydroxymethyl)-1-(tetrahydro-4,5-dimethyl-2-oxo-3-furanyl)-1H-pyrrole-2-carboxaldehyde
- 1-[(3S,4R,5S)-4,5-dimethyl-2-oxotetrahydrofuran-3-yl]-5-(hydroxymethyl)-1H-pyrrole-2-carbaldehyde (non-preferred name)
- 1H-Pyrrole-2-carboxaldehyde, 5-(hydroxymethyl)-1-(tetrahydro-4,5-dimethyl-2-oxo-3-furanyl)-, (3S-(3alpha,4beta,5alpha))-
- 105708-56-3
- DTXSID80147260
-
- Inchi： 1S/C12H15NO4/c1-7-8(2)17-12(16)11(7)13-9(5-14)3-4-10(13)6-15/h3-5,7-8,11,15H,6H2,1-2H3/t7-,8-,11-/m0/s1
- InChI Key： SBDVNGVBUIUJOY-LAEOZQHASA-N
- SMILES： O1C([C@H]([C@@H](C)[C@@H]1C)N1C(C=O)=CC=C1CO)=O
Computed Properties
- Exact Mass: 237.10015
- Monoisotopic Mass: 237.10010796g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 320
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: 0.7
- Topological Polar Surface Area: 68.5?2
Experimental Properties
- PSA: 68.53
D-Arabinonic acid,2,3,5-trideoxy-2-[2-formyl-5-(hydroxymethyl)-1H-pyrrol-1-yl]-3-methyl-, g-lactone 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
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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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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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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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
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