Sarmentose

Synopsis, Chemistry

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Also known as: D-sarmentose, Sarmentose [mi], Sarmentose, d-, (+)-sarmentose, 2-deoxy-3-o-methyl-d-fucose, 90-56-2

Molecular Formula

C₇H₁₄O₄

Molecular Weight

162.18 g/mol

InChI Key

GOYBREOSJSERKM-VQVTYTSYSA-N

FDA UNII

41F6SJ1248

sarmentose is a natural product found in Nerium oleander with data available.

1 2D Structure

Sarmentose

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3S,4S,5R)-4,5-dihydroxy-3-methoxyhexanal

2.1.2 InChI

InChI=1S/C7H14O4/c1-5(9)7(10)6(11-2)3-4-8/h4-7,9-10H,3H2,1-2H3/t5-,6+,7+/m1/s1

2.1.3 InChI Key

GOYBREOSJSERKM-VQVTYTSYSA-N

2.1.4 Canonical SMILES

CC(C(C(CC=O)OC)O)O

2.1.5 Isomeric SMILES

C[C@H]([C@@H]([C@H](CC=O)OC)O)O

2.2 Other Identifiers

2.2.1 UNII

41F6SJ1248

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. D-sarmentose

2. Sarmentose [mi]

3. Sarmentose, D-

4. (+)-sarmentose

5. 2-deoxy-3-o-methyl-d-fucose

6. 90-56-2

7. D-xylo-hexose, 2,6-dideoxy-3-o-methyl-

8. (3s,4s,5r)-4,5-dihydroxy-3-methoxyhexanal

9. D-xylo-hexopyranose, 2,6-dideoxy-3-o-methyl-

10. 41f6sj1248

11. Unii-41f6sj1248

12. 13484-14-5

13. Schembl489623

14. Chebi:33982

15. Dtxsid30420111

16. Dtxsid201027449

17. 2,6-dideoxy-3-o-methyl-d-xylo-hexose

18. Q7424300

19. Wurcs=2.0/1,1,0/[od212m_3*oc]/1/

20. 530-01-8

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₄O₄
Molecular Weight	162.18 g/mol
XLogP3	-1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	162.08920892 g/mol
Monoisotopic Mass	162.08920892 g/mol
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	115
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1