chempirical

Phosphodiesterase

C62H79N15S5CAS 9025-82-51194.72 g/mol

Open in Covalent MOL file
NNSNH2NSNNH2NSNNH2NNSNH2NSNNH2
Primary amineTertiary amine

Properties

Molecular formula
C62H79N15S5
Molar mass
1194.72 g/mol
Exact mass
1193.5246 Da
logP
10.32Crippen estimate
Polar surface area
210.8 Ų
H-bond donors / acceptors
5 / 20
Rotatable bonds
5

Hazards

Danger
Health Hazard (GHS08)

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P271, P284, P304+P340, P342+P316, P403, P501

Identifiers

CAS number
9025-82-5
SMILES
CN(C)C1CCC2=CC3=C(C=C2C1)N=C(S3)N.CN(C)C1CCC2=CC3=C(C=C2C1)SC(=N3)N.CN(C)C1CC2=C(C1)C3=C(C=C2)SC(=N3)N.CN(C)C1CC2=C(C1)C3=C(C=C2)N=C(S3)N.CN(C)C1CC2=CC3=C(C=C2C1)SC(=N3)N
InChIKey
WGMBBKSEXJMGFF-UHFFFAOYSA-N
InChI
InChI=1S/2C13H17N3S.3C12H15N3S/c1-16(2)10-4-3-8-7-12-11(6-9(8)5-10)15-13(14)17-12;1-16(2)10-4-3-8-6-11-12(7-9(8)5-10)17-13(14)15-11;1-15(2)9-3-7-5-10-11(6-8(7)4-9)16-12(13)14-10;1-15(2)8-5-7-3-4-10-11(9(7)6-8)14-12(13)16-10;1-15(2)8-5-7-3-4-10-11(9(7)6-8)16-12(13)14-10/h2*6-7,10H,3-5H2,1-2H3,(H2,14,15);5-6,9H,3-4H2,1-2H3,(H2,13,14);2*3-4,8H,5-6H2,1-2H3,(H2,13,14)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Polynucleotide phosphodiesterase
  • Phosphoric diester hydrolase
  • Polynucleotide phosphodiesterases
  • Phosphoric diester hydrolases
  • Phosphodiesterases
  • Phosphodiesterase I

Work with Phosphodiesterase

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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