chempirical

Alkaline phosphatase

C21H36N8O6CAS 9001-78-9496.57 g/mol

Open in Covalent MOL file
ONOHNONONHNNH2NH2OHONH2
AmideCarboxylic acidGuanidinePrimary amine

Properties

Molecular formula
C21H36N8O6
Molar mass
496.57 g/mol
Exact mass
496.2758 Da
logP
-2.95Crippen estimate
Polar surface area
226.5 Ų
H-bond donors / acceptors
6 / 7
Rotatable bonds
11

Hazards

Not classified as hazardous under GHS by 2 ECHA notifiers. Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
9001-78-9
SMILES
CC(C(=O)N1CCCC1C(=O)NCC(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)O)N
InChIKey
ITZMJCSORYKOSI-UHFFFAOYSA-N
InChI
InChI=1S/C21H36N8O6/c1-12(22)19(33)29-10-4-6-14(29)17(31)26-11-16(30)28-9-3-7-15(28)18(32)27-13(20(34)35)5-2-8-25-21(23)24/h12-15H,2-11,22H2,1H3,(H,26,31)(H,27,32)(H,34,35)(H4,23,24,25)

Weigh it out

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

Names and synonyms

14 names · show all
  • Phosphatase, alkaline
  • E.C. 3.1.3.1
  • Alkaline phosphomonoesterase
  • Alkaline phosphohydrolase
  • EC 3.1.3.1
  • Alkaline phosphatases
  • Alkaline phenyl phosphatase
  • AIP
  • Ostase
  • ALP
  • bIAP
  • RESCAP
  • Alkaline phosphomonoesterases
  • Alkaline phosphohydrolases

Work with Alkaline phosphatase

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

Similar compounds

Rigin77727-17-457 % similar Palmitoyl tetrapeptide 3221227-05-056 % similar Glycyl-L-prolyl-L-arginyl-L-prolyl-L-alaninamide135679-88-855 % similar Hexapeptide-91228371-11-653 % similar Cend-11392278-76-053 % similar L-Alanyl-L-proline13485-59-150 % similar Grgdnp114681-65-148 % similar Cys-asp-pro-gly-tyr-ile-gly-ser-arg110590-60-845 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook