Close
4

Athena Athena

X

CAS 1234990-04-5 manufacturers and suppliers on PharmaCompass

PharmaCompass
(4S,5R)-4-acetyl-4,5-dihydroxy-5-[(1R)-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-[(1R)-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 Weight 260.24 g/mol
Molecular Formula C11H16O7
XLogP3-2.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass260.08960285 g/mol
Monoisotopic Mass260.08960285 g/mol
Topological Polar Surface Area129 Ų
Heavy Atom Count18
Formal Charge0
Complexity414
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty
Post Enquiry
POST ENQUIRY