Cas no 330594-46-2 (3,4-Pyrrolidinediol, 2-(hydroxymethyl)-5-methyl-, (2S,3S,4S,5R)- (9CI))
330594-46-2 structure
Product Name:3,4-Pyrrolidinediol, 2-(hydroxymethyl)-5-methyl-, (2S,3S,4S,5R)- (9CI)
CAS No:330594-46-2
MF:C6H13NO3
MW:147.172322034836
CID:1020111
PubChem ID:12085983
Update Time:2025-04-20
3,4-Pyrrolidinediol, 2-(hydroxymethyl)-5-methyl-, (2S,3S,4S,5R)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 3,4-Pyrrolidinediol, 2-(hydroxymethyl)-5-methyl-, (2S,3S,4S,5R)- (9CI)
- SCHEMBL1650553
- 2,5-Imino-1,2,5-trideoxy-L-glucitol
- BDBM50242268
- AKOS006353866
- 330594-46-2
- CHEMBL502230
- (2S,3S,4S,5R)-2-(Hydroxymethyl)-5-methylpyrrolidine-3,4-diol
-
- Inchi： 1S/C6H13NO3/c1-3-5(9)6(10)4(2-8)7-3/h3-10H,2H2,1H3/t3-,4+,5+,6+/m1/s1
- InChI Key： YRBKDBZXOAEMOT-VANKVMQKSA-N
- SMILES： O[C@@H]1[C@H]([C@@H](C)N[C@H]1CO)O
Computed Properties
- Exact Mass: 147.08954328g/mol
- Monoisotopic Mass: 147.08954328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 120
- 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: -1.3
- Topological Polar Surface Area: 72.7?2
3,4-Pyrrolidinediol, 2-(hydroxymethyl)-5-methyl-, (2S,3S,4S,5R)- (9CI) Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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