Cas no 101977-26-8 (3-Pyrrolidineaceticacid, 2-carboxy-4-[(1Z,3Z,5R)-5-carboxy-1-methyl-1,3-hexadien-1-yl]-,(2S,3S,4S)-)
![3-Pyrrolidineaceticacid, 2-carboxy-4-[(1Z,3Z,5R)-5-carboxy-1-methyl-1,3-hexadien-1-yl]-,(2S,3S,4S)- structure](https://ossimg.kuujia.com/scimg/102000/101977-26-8x500.png)
101977-26-8 structure
Product Name:3-Pyrrolidineaceticacid, 2-carboxy-4-[(1Z,3Z,5R)-5-carboxy-1-methyl-1,3-hexadien-1-yl]-,(2S,3S,4S)-
CAS No:101977-26-8
MF:C15H21NO6
MW:311.33034491539
CID:182468
PubChem ID:6442551
Update Time:2025-04-19
3-Pyrrolidineaceticacid, 2-carboxy-4-[(1Z,3Z,5R)-5-carboxy-1-methyl-1,3-hexadien-1-yl]-,(2S,3S,4S)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyrrolidineaceticacid, 2-carboxy-4-[(1Z,3Z,5R)-5-carboxy-1-methyl-1,3-hexadien-1-yl]-,(2S,3S,4S)-
- (2S,3S,4S)-4-[(2Z,4Z,6R)-6-carboxyhepta-2,4-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid
- 3-Pyrrolidineacetic acid,2-carboxy-4-[(1Z,3Z,5R)-5-carboxy-1-methyl-1,3-hexadienyl]-, (2S,3S,4S)- (9CI)
- 3-Pyrrolidineaceticacid, 2-carboxy-4-(5-carboxy-1-methyl-1,3-hexadienyl)-, [2S-[2a,3b,4b(1Z,3Z,5S*)]]-
- Isodomoic acid D
- Z,Z-Isodomoic acid
- (Z,Z)-Isodomoic acid
- ISODOMOICACIDD
- NS00070874
- 101977-26-8
-
- Inchi： 1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3-,8-4-/t9-,10+,11-,13+/m1/s1
- InChI Key： VZFRNCSOCOPNDB-PQKHEMERSA-N
- SMILES： OC([C@@H]1[C@@H](CC(=O)O)[C@@H](/C(=C\C=C/[C@H](C(=O)O)C)/C)CN1)=O
Computed Properties
- Exact Mass: 311.13693
- Monoisotopic Mass: 311.136887
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 22
- Rotatable Bond Count: 7
- Complexity: 510
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 124
- XLogP3: -1.3
Experimental Properties
- Density: 1.273
- Boiling Point: 607.2°Cat760mmHg
- Flash Point: 321°C
- Refractive Index: 1.544
- PSA: 123.93
- LogP: 1.30190
3-Pyrrolidineaceticacid, 2-carboxy-4-[(1Z,3Z,5R)-5-carboxy-1-methyl-1,3-hexadien-1-yl]-,(2S,3S,4S)- Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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