Gro-pip
Basic information
- CAS
125638-70-2- Standard SMILES
O=P(O)(O)OC1[C@@H](O)[C@H](O)C(OP(=O)(O)OCC(O)CO)[C@@H](O)[C@H]1O- InChIKey
MRHAWIJFXZJZEV-AAZNCPQRSA-N- Molecular formula
- C9H20O14P2
- Average molar mass
- 414.19 g/mol
- Monoisotopic mass
- 414.0328293
Names & identifiers
- Preferred name
- Gro-pip
- IUPAC
- 2,3-dihydroxypropyl [(2S,3R,5S,6S)-2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl] hydrogen phosphate
- English name
- glycero-3-phosphoinositol 4-phosphate
- Molecular formula
- C9H20O14P2
- Molecular weight
- 414.194222
Names & synonyms
125638-70-2Gro-pipglycero-3-Phosphoinositol 4-phosphatealpha-Glycerophosphoinositol 4-phosphateDTXSID70925195Glycerophosphoinositol 4-phosphatemyo-Inositol, 4-(dihydrogen phosphate) 1-(2,3-dihydroxypropyl hydrogen phosphate)(2R,3S,5S,6S)-4-{[(2,3-Dihydroxypropoxy)(hydroxy)phosphoryl]oxy}-2,3,5,6-tetrahydroxycyclohexyl dihydrogen phosphate4-{[(2,3-Dihydroxypropoxy)(hydroxy)phosphoryl]oxy}-2,3,5,6-tetrahydroxycyclohexyl dihydrogen phosphate
Database identifiers
- CAS
125638-70-2- PubChem CID
- 130487
- DTXSID
DTXSID70925195
Properties
Computed structural properties
- XLogP
- -6.7
- Topological polar surface area
- 244 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 506
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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