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((1S,4R)-4-Aminocyclopent-2-En-1-Yl)Methanol (2S,3S)-2,3-Dihydroxysuccinate
PharmaCompass
((1S,4R)-4-Aminocyclopent-2-En-1-Yl)Methanol (2S,3S)-2,3-Dihydroxysuccinate
Also known as: ((1s,4r)-4-aminocyclopent-2-en-1-yl)methanol (2s,3s)-2,3-dihydroxysuccinate, (1s-cis)-4-amino-2-cyclopentene-1-methanol d-hydrogen tatrate, Ak119645, (1s,4r)-cis-4-amino-2-cyclopentene-1-methanol d-tartrate, C10h17no7, Dtxsid60438643
Molecular Formula
C10H17NO7
Molecular Weight
263.246  g/mol
InChI Key
LTSTZOJHLZNDFG-ZGMNSGLWSA-N

1 2D Structure

((1S,4R)-4-Aminocyclopent-2-En-1-Yl)Methanol (2S,3S)-2,3-Dihydroxysuccinate

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

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

3. Ak119645

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

5. C10h17no7

6. Dtxsid60438643

7. 1449ab

8. Akos015854142

9. Akos016010729

10. Ac-27026

11. Ax8245061

12. Kb-204921

13. 177c520

14. J-014899

15. (1s-cis)-4-amino-2-cyclopentene-1-methanol D-tartrate

16. (1s,4r)-cis-4-amino-2-cyclopentene-1-methanol (2s,3s)-2,3-dihydroxybutanedioate

17. (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 263.246 g/mol
Molecular Formula C10H17NO7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass263.101 g/mol
Monoisotopic Mass263.101 g/mol
Topological Polar Surface Area161 A^2
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
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