Basic information
- CAS
4220-97-7- Standard SMILES
O=P(O)(O)OCC(O)C(O)c1c[nH]c2ccccc12- InChIKey
NQEQTYPJSIEPHW-UHFFFAOYSA-N- Molecular formula
- C11H14NO6P
- Average molar mass
- 287.21 g/mol
- Monoisotopic mass
- 287.05587416
Overview
1-C-(indol-3-yl)glycerol 3-phosphate is a member of sn-glycerol 3-phosphates. It is functionally related to a glycerol. It is a conjugate acid of a 1-C-(indol-3-yl)glycerol 3-phosphate(2-).
Names & identifiers
- Preferred name
- 1-C-(Indol-3-yl)glycerol 3-phosphate
- IUPAC
- [2,3-dihydroxy-3-(1H-indol-3-yl)propyl] dihydrogen phosphate
- English name
- indoleglycerol phosphate
- Molecular formula
- C11H14NO6P
- Molecular weight
- 287.21
Names & synonyms
1-C-(Indol-3-yl)glycerol 3-phosphateCHEBI:18299RefChem:10551952,3-dihydroxy-3-(1H-indol-3-yl)propyl dihydrogen phosphateSCHEMBL2291738DTXSID70962363[2,3-dihydroxy-3-(1H-indol-3-yl)propyl] dihydrogen phosphatec1-(3-indolyl)glycerol-3-phosphate1-(Indol-3-yl)glycerol 3-phosphateQ27102978indoleglycerol phosphatephosphoric acid mono-(2,3-dihydroxy-3-indol-3-yl-propyl ester)
Show more names
1,2,3-Propanetriol, 1-(1H-indol-3-yl)-, 3-(dihydrogen phosphate)
Database identifiers
- CAS
4220-97-7- PubChem CID
- 799
- DTXSID
DTXSID70962363- ChEBI
CHEBI:18299- Nikkaji
- J39.032A
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Boiling point
- 657.3 · 657.3±65.0 °C(Predicted)
- Density
- 1.661 · 1.661±0.06 g/cm3(Predicted)
- pka
- 1.84 · 1.84±0.10(Predicted)
Chemistry & industry
Suppliers4 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
云南苏理生物医药科技有限公司0871-68355600 18787766125
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
上海腾骞生物科技有限公司021-50895067 18616507272;13681616114;15020344067 · [email protected]
Additional notes
DefinitionChEBI: 1-C-(indol-3-yl)glycerol 3-phosphate is a member of sn-glycerol 3-phosphates. It is functionally related to a glycerol. It is a conjugate acid of a 1-C-(indol-3-yl)glycerol 3-phosphate(2-).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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