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CAS 1234990-04-5 manufacturers and suppliers on PharmaCompass

(4S,5R)-4-acetyl-4,5-dihydroxy-5-((R)-1-hydroxyethyl)heptane-2,3,6-trione

(4S,5R)-4-acetyl-4,5-dihydroxy-5-((R)-1-hydroxyethyl)heptane-2,3,6-trione

Chemistry, 2 End Use API, 18 Related Intermediates

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1 Intermediates

1 Intermediates

(4S,5R)-4-acetyl-4,5-dihydroxy-5-((R)-1-hydroxyethyl)heptane-2,3,6-trione

Also known as: 1234990-04-5, Schembl5465347, Act05297, Amy14334, Zinc48056554, Akos015920488

Molecular Formula

C₁₁H₁₆O₇

Molecular Weight

260.24 g/mol

InChI Key

JTPRLNHAKSDJJX-DADVEIPYSA-N

1 2D Structure

(4S,5R)-4-acetyl-4,5-dihydroxy-5-((R)-1-hydroxyethyl)heptane-2,3,6-trione

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4S,5R)-4-acetyl-4,5-dihydroxy-5-[(1R)-1-hydroxyethyl]heptane-2,3,6-trione

2.1.2 InChI

InChI=1S/C11H16O7/c1-5(12)9(16)11(18,8(4)15)10(17,6(2)13)7(3)14/h6,13,17-18H,1-4H3/t6-,10+,11+/m1/s1

2.1.3 InChI Key

JTPRLNHAKSDJJX-DADVEIPYSA-N

2.1.4 Canonical SMILES

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

2.1.5 Isomeric SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1234990-04-5

2. Schembl5465347

3. Act05297

4. Amy14334

5. Zinc48056554

6. Akos015920488

7. Ds-1559

2.3 Create Date

2011-06-21

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₆O₇
Molecular Weight	260.24 g/mol
XLogP3	-2.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	260.08960285 g/mol
Monoisotopic Mass	260.08960285 g/mol
Topological Polar Surface Area	129 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	414
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

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CAS Number

161599-46-8

End Use API

OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company...

OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company specializing in the development of innovative processes for the synthesis of a wide range of products. We also undertake custom pharmaceutical services and contract Research Synthesis. We are commited to create better quality of life by being at the forefront of research, manufacturing and marketing of high quality API'S.As a growing organization, we are aware that we can’t achieve our goals singly. We collaborate and work in unison with a large number of reputed and like-minded partners

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