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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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1 USDMF

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Chemistry

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Also known as: 9004-32-4, Cellulose gum, Sodium;2,3,4,5,6-pentahydroxyhexanal;acetate, Carboxymethylcellulose sodium (usp), Carboxymethylcellulose cellulose carboxymethyl ether, Cmc powder

Molecular Formula

C₈H₁₅NaO₈

Molecular Weight

262.19 g/mol

InChI Key

QMGYPNKICQJHLN-UHFFFAOYSA-M

1 2D Structure

9004-32-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;2,3,4,5,6-pentahydroxyhexanal;acetate

2.1.2 InChI

InChI=1S/C6H12O6.C2H4O2.Na/c7-1-3(9)5(11)6(12)4(10)2-8;1-2(3)4;/h1,3-6,8-12H,2H2;1H3,(H,3,4);/q;;+1/p-1

2.1.3 InChI Key

QMGYPNKICQJHLN-UHFFFAOYSA-M

2.1.4 Canonical SMILES

CC(=O)[O-].C(C(C(C(C(C=O)O)O)O)O)O.[Na+]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 9004-32-4

2. Cellulose Gum

3. Sodium;2,3,4,5,6-pentahydroxyhexanal;acetate

4. Carboxymethylcellulose Sodium (usp)

5. Carboxymethylcellulose Cellulose Carboxymethyl Ether

6. Cmc Powder

7. Celluvisc (tn)

8. Carmellose Sodium (jp17)

9. Chembl242021

10. C.m.c. (tn)

11. Chebi:31357

12. E466

13. Sodium Carboxymethyl Cellulose (mw 250000)

14. D01544

15. Carboxymethyl Cellulose Sodium - Viscosity 100 - 300 Mpa.s

2.3 Create Date

2008-02-05

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₅NaO₈
Molecular Weight	262.19 g/mol
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	262.06646171 g/mol
Monoisotopic Mass	262.06646171 g/mol
Topological Polar Surface Area	158 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	173
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3