Np mrd loader

Record Information
Version2.0
Created at2024-09-11 23:16:47 UTC
Updated at2024-09-11 23:16:47 UTC
NP-MRD IDNP0339731
Secondary Accession NumbersNone
Natural Product Identification
Common Namedihydrogeranylgeranyl-PP
Description Based on a literature review very few articles have been published on dihydrogeranylgeranyl-PP.
Structure
Thumb
SynonymsNot Available
Chemical FormulaC20H35O7P2
Average Mass449.4420 Da
Monoisotopic Mass449.18745 Da
IUPAC Name[(3,7,11,15-tetramethylhexadeca-2,10,14-trien-1-yl phosphonato)oxy]phosphonate
Traditional Name(3,7,11,15-tetramethylhexadeca-2,10,14-trien-1-yl phosphonato)oxyphosphonate
CAS Registry NumberNot Available
SMILES
CC(CCCC(C)=CCOP([O-])(=O)OP([O-])([O-])=O)CCC=C(C)CCC=C(C)C
InChI Identifier
InChI=1/C20H38O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,15,19H,6-8,10,12-14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/p-3
InChI KeyYJGANOFPASCZBK-UHFFFAOYNA-K
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
Chemical Taxonomy
ClassificationNot classified
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP5.68ChemAxon
pKa (Strongest Acidic)1.77ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area121.78 ŲChemAxon
Rotatable Bond Count15ChemAxon
Refractivity116.32 m³·mol⁻¹ChemAxon
Polarizability46.98 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General ReferencesNot Available