CAS 81012-88-6|CAS 71672-86-1|Inosine 5′-diphosphate sodium salt|IDP|trisodium idp trianion|trisodium [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-6,9-dihydro-1H-purin-9-yl)oxolan-2-yl]methyl (phosphonato...

Molecular Formula

C₁₀H₁₁N₄Na₃O₁₁P₂

Molecular Mass

494.131372

Exact Mass

493.9592633

InChI

InChI=1S/C10H14N4O11P2.3Na/c15-6-4(1-23-27(21,22)25-26(18,19)20)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;;;/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,11,12,17)(H2,18,19,20);;;/q;3*+1/p-3/t4-,6-,7-,10-;;;/m1.../s1

InChIKey

CPIQGMJSIPVOOS-MSQVLRTGSA-K

Canonic Smiles

O[C@@H]1[C@@H](COP(=O)(OP(=O)([O-])[O-])[O-])O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O.[Na+].[Na+].[Na+]

Isomeric Smiles

c1[nH]c(=O)c2c(n1)n(cn2)[C@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)([O-])OP(=O)([O-])[O-])O)O.[Na+].[Na+].[Na+]

JChem

Acid pKa

1.7990742

H Acceptors

H Donor

LogD (pH = 5.5)

-7.42697

LogD (pH = 7.4)

-8.068974

Log P

-3.2205358

Molar Refractivity

79.7125

Polarizability

32.187077

Polar Surface Area

230.75

Rotatable Bonds

Lipinski's Rule of Five

false

Commercial Catalog

Academic Data

Synonyms

IDPInosine 5′-diphosphate sodium saltInosine-5′-diphosphate trisodium salt5′-IDP-Na3

IUPAC name

trisodium [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-6,9-dihydro-1H-purin-9-yl)oxolan-2-yl]methyl (phosphonatooxy)phosphonate

IUPAC Traditional name

trisodium idp trianion

MDL Number

MFCD00043058

Beilstein Number

8818109

Safety Information

GHS Hazard statements

H371

GHS Precautionary statements

P260

Storage Temperature

-20°C

Safety Statements

36/37

Warning

Harmful (Xn)

20/21/22-68/20/21/22

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

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Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

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Sigma Aldrich

I4375

Application
Inosine 5′-diphosphate (IDP) is used in studies of the relative substrate specificities of enzymes, transporters, and regulatory molecules that utilize purine nucleosides, especially forms of adenosine.
Preparation Note
Prepared from muscle or bacterial ADP.

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