methoxy-[(2R)-2-methoxy-3-octadecoxypropoxy]-oxophosphanium;1-[methoxy-[(2R)-2-methoxy-3-octadecoxypropoxy]phosphoryl]ethanol

C48H101O11P2+ — CID 90771489

IUPACmethoxy-[(2R)-2-methoxy-3-octadecoxypropoxy]-oxophosphanium;1-[methoxy-[(2R)-2-methoxy-3-octadecoxypropoxy]phosphoryl]ethanol
SMILESCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(OC)C(C)O)OC.CCCCCCCCCCCCCCCCCCOC[C@H](CO[P+](=O)OC)OC
InChIInChI=1S/C25H53O6P.C23H48O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-22-25(28-3)23-31-32(27,29-4)24(2)26;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-21-23(25-2)22-28-29(24)26-3/h24-26H,5-23H2,1-4H3;23H,4-22H2,1-3H3/q;+1/t24?,25-,32?;23-/m11/s1
InChIKeyBTVRHZXWEZCVHE-PKNLMRGRSA-N
MW916.27 g/mol
LogP15.07
Rot. Bonds49

About methoxy-[(2R)-2-methoxy-3-octadecoxypropoxy]-oxophosphanium;1-[methoxy-[(2R)-2-methoxy-3-octadecoxypropoxy]phosphoryl]ethanol

methoxy-[(2R)-2-methoxy-3-octadecoxypropoxy]-oxophosphanium;1-[methoxy-[(2R)-2-methoxy-3-octadecoxypropoxy]phosphoryl]ethanol (PubChem CID 90771489) has the molecular formula C48H101O11P2+ and a molecular weight of 916.27 g/mol. Its IUPAC name is methoxy-[(2R)-2-methoxy-3-octadecoxypropoxy]-oxophosphanium;1-[methoxy-[(2R)-2-methoxy-3-octadecoxypropoxy]phosphoryl]ethanol.

Molecular Properties

Compound Namemethoxy-[(2R)-2-methoxy-3-octadecoxypropoxy]-oxophosphanium;1-[methoxy-[(2R)-2-methoxy-3-octadecoxypropoxy]phosphoryl]ethanol
PubChem CID90771489
Molecular FormulaC48H101O11P2+
Molecular Weight916.27 g/mol
Exact Mass915.68
IUPAC Namemethoxy-[(2R)-2-methoxy-3-octadecoxypropoxy]-oxophosphanium;1-[methoxy-[(2R)-2-methoxy-3-octadecoxypropoxy]phosphoryl]ethanol
SMILESCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(OC)C(C)O)OC.CCCCCCCCCCCCCCCCCCOC[C@H](CO[P+](=O)OC)OC
InChIInChI=1S/C25H53O6P.C23H48O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-22-25(28-3)23-31-32(27,29-4)24(2)26;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-21-23(25-2)22-28-29(24)26-3/h24-26H,5-23H2,1-4H3;23H,4-22H2,1-3H3/q;+1/t24?,25-,32?;23-/m11/s1
InChIKeyBTVRHZXWEZCVHE-PKNLMRGRSA-N
XLogP15.07
TPSA128.21 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds49
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500916.27
LogP ≤ 515.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-2-[methoxy-[(2S)-2-methoxy-3-octadecoxypropoxy]phosphoryl]acetaldehyde
CID 58681850
fluoro-(2-methoxy-3-tetradecoxypropoxy)phosphinic acid
CID 11689532
1-(3-hexoxy-2-methoxypropoxy)hexane
CID 163381100
methanesulfonic acid;(2R)-2-methoxy-3-octadecoxypropan-1-ol
CID 71407762
[(3R)-4-hexadecoxy-3-methoxybutyl]phosphonic acid
CID 10364120
dihydroxy-[(2R)-2-methoxy-3-octadecoxypropoxy]-sulfanylidene-λ5-phosphane
CID 71719457
2-aminoethyl (3-hexadecoxy-2-methoxypropyl) hydrogen phosphate
CID 24802202
1-[2-methoxy-4-[methoxy(methyl)phosphoryl]oxybutoxy]hexadecane
CID 57288612
1-[hydroxy-(2-methoxy-3-octadecoxypropoxy)phosphoryl]propyl-trimethylazanium
CID 54309775
[(2S)-2-methoxy-3-octadecoxypropyl] 2-(propan-2-ylamino)ethyl hydrogen phosphate
CID 98047054
(2R)-3-hexadecoxy-2-methoxypropan-1-ol
CID 10065250
3-[hydroxy-(2-methoxy-3-octadecoxypropoxy)phosphoryl]propyl-trimethylazanium
CID 88685870

Frequently Asked Questions

What is the IUPAC name of methoxy-[(2R)-2-methoxy-3-octadecoxypropoxy]-oxophosphanium;1-[methoxy-[(2R)-2-methoxy-3-octadecoxypropoxy]phosphoryl]ethanol?
The IUPAC name of methoxy-[(2R)-2-methoxy-3-octadecoxypropoxy]-oxophosphanium;1-[methoxy-[(2R)-2-methoxy-3-octadecoxypropoxy]phosphoryl]ethanol (CID 90771489) is methoxy-[(2R)-2-methoxy-3-octadecoxypropoxy]-oxophosphanium;1-[methoxy-[(2R)-2-methoxy-3-octadecoxypropoxy]phosphoryl]ethanol.
What is the SMILES notation for methoxy-[(2R)-2-methoxy-3-octadecoxypropoxy]-oxophosphanium;1-[methoxy-[(2R)-2-methoxy-3-octadecoxypropoxy]phosphoryl]ethanol?
The canonical SMILES for methoxy-[(2R)-2-methoxy-3-octadecoxypropoxy]-oxophosphanium;1-[methoxy-[(2R)-2-methoxy-3-octadecoxypropoxy]phosphoryl]ethanol is CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(OC)C(C)O)OC.CCCCCCCCCCCCCCCCCCOC[C@H](CO[P+](=O)OC)OC.
What is the InChIKey of methoxy-[(2R)-2-methoxy-3-octadecoxypropoxy]-oxophosphanium;1-[methoxy-[(2R)-2-methoxy-3-octadecoxypropoxy]phosphoryl]ethanol?
The InChIKey is BTVRHZXWEZCVHE-PKNLMRGRSA-N. The full InChI is InChI=1S/C25H53O6P.C23H48O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-22-25(28-3)23-31-32(27,29-4)24(2)26;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-21-23(25-2)22-28-29(24)26-3/h24-26H,5-23H2,1-4H3;23H,4-22H2,1-3H3/q;+1/t24?,25-,32?;23-/m11/s1.
What are the key properties of methoxy-[(2R)-2-methoxy-3-octadecoxypropoxy]-oxophosphanium;1-[methoxy-[(2R)-2-methoxy-3-octadecoxypropoxy]phosphoryl]ethanol?
methoxy-[(2R)-2-methoxy-3-octadecoxypropoxy]-oxophosphanium;1-[methoxy-[(2R)-2-methoxy-3-octadecoxypropoxy]phosphoryl]ethanol has a molecular weight of 916.27 g/mol, XLogP of 15.07, 49 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[(2R)-2-methoxy-3-octadecoxypropoxy]-oxophosphanium;1-[methoxy-[(2R)-2-methoxy-3-octadecoxypropoxy]phosphoryl]ethanol is sourced from PubChem (CID 90771489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).