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Also known as: 229177-52-0, (1s-cis)-4-amino-2-cyclopentene-1-methanol d-hydrogen tatrate, (1s,4r)-cis-4-amino-2-cyclopentene-1-methanol d-tartrate, ((1s,4r)-4-aminocyclopent-2-en-1-yl)methanol(2s,3s)-2,3-dihydroxysuccinate, [(1s,4r)-4-aminocyclopent-2-en-1-yl]methanol;(2s,3s)-2,3-dihydroxybutanedioic acid, 2-cyclopentene-1-methanol, 4-amino-, (1s,4r)-, (2s,3s)-2,3-dihydroxybutanedioate (1:1) (salt) (9ci)
Molecular Formula
C10H17NO7
Molecular Weight
263.24  g/mol
InChI Key
LTSTZOJHLZNDFG-ZGMNSGLWSA-N

CAS 229177-52-0
1 2D Structure

CAS 229177-52-0

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 Weight 263.24 g/mol
Molecular Formula C10H17NO7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass263.10050188 g/mol
Monoisotopic Mass263.10050188 g/mol
Topological Polar Surface Area161 Ų
Heavy Atom Count18
Formal Charge0
Complexity235
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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