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[(3-methylbut-3-en-1-yl phosphonato)oxy]phosphonate
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ChemBase ID:
127908
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Molecular Formular:
C5H9O7P2---
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Molecular Mass:
243.068282
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Monoisotopic Mass:
242.98235089
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SMILES and InChIs
SMILES:
CC(=C)CCOP(=O)([O-])OP(=O)([O-])[O-]
Canonical SMILES:
CC(=C)CCOP(=O)(OP(=O)([O-])[O-])[O-]
InChI:
InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)/p-3
InChIKey:
NUHSROFQTUXZQQ-UHFFFAOYSA-K
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Cite this record
CBID:127908 http://www.chembase.cn/molecule-127908.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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[(3-methylbut-3-en-1-yl phosphonato)oxy]phosphonate
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IUPAC Traditional name
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isopentenyl pyrophosphate
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Synonyms
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Isopentenyl pyrophosphate
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CAS Number
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CHEBI ID
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Chemspider ID
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MeSH Name
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Wikipedia Title
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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1.7784543
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H Acceptors
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5
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H Donor
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0
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LogD (pH = 5.5)
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-4.1982236
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LogD (pH = 7.4)
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-4.834457
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Log P
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0.19933072
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Molar Refractivity
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44.8417 cm3
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Polarizability
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19.12342 Å3
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Polar Surface Area
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121.78 Å2
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Rotatable Bonds
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6
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
DETAILS
DETAILS
Wikipedia
PATENTS
PATENTS
PubChem Patent
Google Patent