CAS 376608-65-0

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Also known as: 376608-65-0, 2-[[(3ar,4s,6r,6as)-6-aminotetrahydro-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-yl]oxy]-ethanol (2r,3r)-2,3-dihydroxybutanedioate, 2-((3ar,4s,6r,6as)-6-amino-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yloxy)ethanol l-tartaric acid, 2-[[(3ar,4s,6r,6as)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol;(2r,3r)-2,3-dihydroxybutanedioic acid, Ethanol,2-[[(3ar,4s,6r,6as)-6-aminotetrahydro-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-yl]oxy]-,(2r,3r)-2,3-dihydroxybutanedioate(1:1)(salt)(9ci), Mfcd22200635

Molecular Formula

C₁₄H₂₅NO₁₀

Molecular Weight

367.35 g/mol

InChI Key

XEYNXCGNMKWIDO-ABGQOWMBSA-N

1 2D Structure

CAS 376608-65-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[[(3aR,4S,6R,6aS)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol;(2R,3R)-2,3-dihydroxybutanedioic acid

2.1.2 InChI

InChI=1S/C10H19NO4.C4H6O6/c1-10(2)14-8-6(11)5-7(9(8)15-10)13-4-3-12;5-1(3(7)8)2(6)4(9)10/h6-9,12H,3-5,11H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t6-,7+,8+,9-;1-,2-/m11/s1

2.1.3 InChI Key

XEYNXCGNMKWIDO-ABGQOWMBSA-N

2.1.4 Canonical SMILES

CC1(OC2C(CC(C2O1)OCCO)N)C.C(C(C(=O)O)O)(C(=O)O)O

2.1.5 Isomeric SMILES

CC1(O[C@H]2[C@@H](C[C@@H]([C@H]2O1)OCCO)N)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 376608-65-0

2. 2-[[(3ar,4s,6r,6as)-6-aminotetrahydro-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-yl]oxy]-ethanol (2r,3r)-2,3-dihydroxybutanedioate

3. 2-((3ar,4s,6r,6as)-6-amino-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yloxy)ethanol L-tartaric Acid

4. 2-[[(3ar,4s,6r,6as)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol;(2r,3r)-2,3-dihydroxybutanedioic Acid

5. Ethanol,2-[[(3ar,4s,6r,6as)-6-aminotetrahydro-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-yl]oxy]-,(2r,3r)-2,3-dihydroxybutanedioate(1:1)(salt)(9ci)

6. Mfcd22200635

7. 2-(((3ar,4s,6r,6as)-6-aminotetrahydro-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-yl)oxy)-ethanol (2r,3r)-2,3-dihydroxybutanedioate

8. Amot0360

9. Schembl16053210

10. (2r,3r)-2,3-dihydroxybutanedioic Acid; 2-{[(3ar,4s,6r,6as)-6-amino-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-yl]oxy}ethan-1-ol

11. Cs-m1880

12. Akos022171443

13. Am85746

14. Ds-3969

15. Ac-27493

16. H11357

17. A851831

18. (2r,3r)-2,3-dihydroxybutanedioic Acid 2-{[(3ar,4s,6r,6as)-6-amino-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-yl]oxy}ethan-1-ol

19. 2-(((3ar,4s,6r,6as)-6-amino-2,2-dimethyl Tetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethanol (2r,3r)-2,3-dihydroxysuccinate

20. 2-(((3ar,4s,6r,6as)-6-amino-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethanol L-tartaric Acid Salt

21. 2-(((3ar,4s,6r,6as)-6-amino-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethanol(2r,3r)-2,3-dihydroxysuccinate

22. 2-(((3ar,4s,6r,6as)-6-amino-2,2-dimethyltetrahydro-4h-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethan-1-ol (2r,3r)-2,3-dihydroxysuccinate

23. 2-((3ar,4s,6r,6as)-6-amino-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yloxy)ethanol L-tataric Acid;2-(((3ar,4s,6r,6as)-6-amino-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethanol (2r,3r)-2,3-dihydroxysuccinate

24. 2-{[(3ar,4s,6r,6as)-6-amino-2,2-dimethyl-tetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl]oxy}ethanol; L(+)-tartaric Acid

2.3 Create Date

2013-12-26

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₂₅NO₁₀
Molecular Weight	367.35 g/mol
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	6
Exact Mass	367.14784599 g/mol
Monoisotopic Mass	367.14784599 g/mol
Topological Polar Surface Area	189 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	367
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2