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Technical details about CAS 1103738-19-7, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 1103738-19-7, Lx-4211 intermediate, D-xylo-pentodialdo-5,2-furanose, 4,5-o-(1-methylethylidene)-1-c-4-morpholinyl-,(5s)-, [(3as,5r,6s,6as)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-morpholin-4-ylmethanone, Mfcd25977365, Lx-4211 inermediate
Molecular Formula
C12H19NO6
Molecular Weight
273.28  g/mol
InChI Key
ZHDDJWFZDNKWIC-REIXXSIJSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(3aS,5R,6S,6aS)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-morpholin-4-ylmethanone
2.1.2 InChI
InChI=1S/C12H19NO6/c1-12(2)18-9-7(14)8(17-11(9)19-12)10(15)13-3-5-16-6-4-13/h7-9,11,14H,3-6H2,1-2H3/t7-,8-,9+,11+/m1/s1
2.1.3 InChI Key
ZHDDJWFZDNKWIC-REIXXSIJSA-N
2.1.4 Canonical SMILES
CC1(OC2C(C(OC2O1)C(=O)N3CCOCC3)O)C
2.1.5 Isomeric SMILES
CC1(O[C@H]2[C@@H]([C@@H](O[C@H]2O1)C(=O)N3CCOCC3)O)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1103738-19-7

2. Lx-4211 Intermediate

3. D-xylo-pentodialdo-5,2-furanose, 4,5-o-(1-methylethylidene)-1-c-4-morpholinyl-,(5s)-

4. [(3as,5r,6s,6as)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-morpholin-4-ylmethanone

5. Mfcd25977365

6. Lx-4211 Inermediate

7. Schembl1935818

8. D-xylo-pentodialdo-5,2-furanose

9. Zhddjwfzdnkwic-reixxsijsa-n

10. Amy12385

11. Cs-m2126

12. Ex-a1776

13. Akos030632836

14. (3as,5r,6s,6as)-[6-hydroxy-2,2-dimethyltetrahydrofuro[3,2-d][1,3]dioxol-5-yl]-(morpholino)methanone

15. Ac-29956

16. Ds-19506

17. A903458

18. ((3as,5r,6s,6as)-6-hydroxy-2,2-dimethyl Tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)(morpholino)methanone

19. ((3as,5r,6s,6as)-6-hydroxy-2,2-dimethyl-tetrahydro-furo[2,3-d][1,3]dioxol-5-yl)-morpholin-4-yl-methanone

20. ((3as,5r,6s,6as)-6-hydroxy-2,2-dimethyltetrahydrofuro[3,2-d][1,3]dioxol-5-yl)(morpholino)methanone

2.3 Create Date
2009-04-06
3 Chemical and Physical Properties
Molecular Weight 273.28 g/mol
Molecular Formula C12H19NO6
XLogP3-0.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area77.5
Heavy Atom Count19
Formal Charge0
Complexity367
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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