1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(1S,4R)-4-aminocyclopent-2-en-1-yl]methanol;(2S,3S)-2,3-dihydroxybutanedioic acid

2.1.2 InChI

InChI=1S/C6H11NO.C4H6O6/c7-6-2-1-5(3-6)4-8;5-1(3(7)8)2(6)4(9)10/h1-2,5-6,8H,3-4,7H2;1-2,5-6H,(H,7,8)(H,9,10)/t5-,6+;1-,2-/m10/s1

2.1.3 InChI Key

LTSTZOJHLZNDFG-ZGMNSGLWSA-N

2.1.4 Canonical SMILES

C1C(C=CC1N)CO.C(C(C(=O)O)O)(C(=O)O)O

2.1.5 Isomeric SMILES

C1[C@@H](C=C[C@@H]1N)CO.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 229177-52-0

2. (1s-cis)-4-amino-2-cyclopentene-1-methanol D-hydrogen Tatrate

3. (1s,4r)-cis-4-amino-2-cyclopentene-1-methanol D-tartrate

4. ((1s,4r)-4-aminocyclopent-2-en-1-yl)methanol(2s,3s)-2,3-dihydroxysuccinate

5. [(1s,4r)-4-aminocyclopent-2-en-1-yl]methanol;(2s,3s)-2,3-dihydroxybutanedioic Acid

6. 2-cyclopentene-1-methanol, 4-amino-, (1s,4r)-, (2s,3s)-2,3-dihydroxybutanedioate (1:1) (salt) (9ci)

7. (1s-cis)-4-amino-2-cyclopentene-1-methanol D-tartrate

8. Dtxsid60438643

9. Amy19205

10. Akos015854142

11. Akos016010729

12. (1s,4r)-cis-4-amino-2-cyclopentene-1-methanol (2s,3s)-2,3-dihydroxybutanedioate

13. [(1s,4r)-4-aminocyclopent-2-en-1-yl]methanol,(2s,3s)-2,3-dihydroxybutanedioic Acid

14. Ac-27026

15. 177c520

16. A878388

17. J-014899

18. (1s,4r)-4-amino-2-cyclopentene-1-methanol (2s,3s)-2,3-dihydroxybutanedioate (1:1) Salt

19. (2s,3s)-2,3-dihydroxybutanedioic Acid--[(1s,4r)-4-aminocyclopent-2-en-1-yl]methanol (1/1)

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₇NO₇
Molecular Weight	263.24 g/mol
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	263.10050188 g/mol
Monoisotopic Mass	263.10050188 g/mol
Topological Polar Surface Area	161 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	235
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

CAS 229177-52-0