disodium;2-(1-hydroxyicosan-3-ylamino)ethyl phosphate

C22H46NNa2O5P — CID 88959210

IUPACdisodium;2-(1-hydroxyicosan-3-ylamino)ethyl phosphate
SMILESCCCCCCCCCCCCCCCCCC(CCO)NCCOP(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C22H48NO5P.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(18-20-24)23-19-21-28-29(25,26)27;;/h22-24H,2-21H2,1H3,(H2,25,26,27);;/q;2*+1/p-2
InChIKeyCQRCSGSVHWAZCB-UHFFFAOYSA-L
MW481.57 g/mol
LogP-1.56
Rot. Bonds23

About disodium;2-(1-hydroxyicosan-3-ylamino)ethyl phosphate

disodium;2-(1-hydroxyicosan-3-ylamino)ethyl phosphate (PubChem CID 88959210) has the molecular formula C22H46NNa2O5P and a molecular weight of 481.57 g/mol. Its IUPAC name is disodium;2-(1-hydroxyicosan-3-ylamino)ethyl phosphate.

Molecular Properties

Compound Namedisodium;2-(1-hydroxyicosan-3-ylamino)ethyl phosphate
PubChem CID88959210
Molecular FormulaC22H46NNa2O5P
Molecular Weight481.57 g/mol
Exact Mass481.29
IUPAC Namedisodium;2-(1-hydroxyicosan-3-ylamino)ethyl phosphate
SMILESCCCCCCCCCCCCCCCCCC(CCO)NCCOP(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C22H48NO5P.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(18-20-24)23-19-21-28-29(25,26)27;;/h22-24H,2-21H2,1H3,(H2,25,26,27);;/q;2*+1/p-2
InChIKeyCQRCSGSVHWAZCB-UHFFFAOYSA-L
XLogP-1.56
TPSA104.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze disodium;2-(1-hydroxyicosan-3-ylamino)ethyl phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(propylamino)dodecan-1-ol
CID 114078400
3-(octadecylamino)pentane-1,5-diol;hydrochloride
CID 173050552
5-[13-(5-hydroxypentylamino)nonadecan-7-ylamino]pentan-1-ol
CID 15272899
2-(heptadecan-9-ylamino)ethyl acetate
CID 19824266
3-[3-(dimethylamino)propylamino]dodecan-1-ol
CID 169107448
propyl phosphate;bis(tetrahexylphosphanium)
CID 87474397
2-(2-hydroxyethylamino)hexadecan-1-ol
CID 87123579
disodium;2-(hexadecanoylamino)ethyl phosphate
CID 171618393
calcium dotriacontyl phosphate
CID 164901019
dilithium;tetradecyl phosphate
CID 139820221
dilithium;tridecyl phosphate
CID 159999815
dipotassium;octadecyl phosphate
CID 20511704

Frequently Asked Questions

What is the IUPAC name of disodium;2-(1-hydroxyicosan-3-ylamino)ethyl phosphate?
The IUPAC name of disodium;2-(1-hydroxyicosan-3-ylamino)ethyl phosphate (CID 88959210) is disodium;2-(1-hydroxyicosan-3-ylamino)ethyl phosphate.
What is the SMILES notation for disodium;2-(1-hydroxyicosan-3-ylamino)ethyl phosphate?
The canonical SMILES for disodium;2-(1-hydroxyicosan-3-ylamino)ethyl phosphate is CCCCCCCCCCCCCCCCCC(CCO)NCCOP(=O)([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;2-(1-hydroxyicosan-3-ylamino)ethyl phosphate?
The InChIKey is CQRCSGSVHWAZCB-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H48NO5P.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(18-20-24)23-19-21-28-29(25,26)27;;/h22-24H,2-21H2,1H3,(H2,25,26,27);;/q;2*+1/p-2.
What are the key properties of disodium;2-(1-hydroxyicosan-3-ylamino)ethyl phosphate?
disodium;2-(1-hydroxyicosan-3-ylamino)ethyl phosphate has a molecular weight of 481.57 g/mol, XLogP of -1.56, 23 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-(1-hydroxyicosan-3-ylamino)ethyl phosphate is sourced from PubChem (CID 88959210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).