tetrasodium;tetrakis(hexadecoxy-[hydroxy(phosphono)methyl]phosphinate)

C68H148Na4O28P8 — CID 173412799

IUPACtetrasodium;tetrakis(hexadecoxy-[hydroxy(phosphono)methyl]phosphinate)
SMILESCCCCCCCCCCCCCCCCOP(=O)([O-])C(O)P(=O)(O)O.CCCCCCCCCCCCCCCCOP(=O)([O-])C(O)P(=O)(O)O.CCCCCCCCCCCCCCCCOP(=O)([O-])C(O)P(=O)(O)O.CCCCCCCCCCCCCCCCOP(=O)([O-])C(O)P(=O)(O)O.[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/4C17H38O7P2.4Na/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-26(22,23)17(18)25(19,20)21;;;;/h4*17-18H,2-16H2,1H3,(H,22,23)(H2,19,20,21);;;;/q;;;;4*+1/p-4
InChIKeyUTCKJPKEAXSEFO-UHFFFAOYSA-J
MW1753.66 g/mol
LogP5.98
Rot. Bonds72

About tetrasodium;tetrakis(hexadecoxy-[hydroxy(phosphono)methyl]phosphinate)

tetrasodium;tetrakis(hexadecoxy-[hydroxy(phosphono)methyl]phosphinate) (PubChem CID 173412799) has the molecular formula C68H148Na4O28P8 and a molecular weight of 1753.66 g/mol. Its IUPAC name is tetrasodium;tetrakis(hexadecoxy-[hydroxy(phosphono)methyl]phosphinate).

Molecular Properties

Compound Nametetrasodium;tetrakis(hexadecoxy-[hydroxy(phosphono)methyl]phosphinate)
PubChem CID173412799
Molecular FormulaC68H148Na4O28P8
Molecular Weight1753.66 g/mol
Exact Mass1752.76
IUPAC Nametetrasodium;tetrakis(hexadecoxy-[hydroxy(phosphono)methyl]phosphinate)
SMILESCCCCCCCCCCCCCCCCOP(=O)([O-])C(O)P(=O)(O)O.CCCCCCCCCCCCCCCCOP(=O)([O-])C(O)P(=O)(O)O.CCCCCCCCCCCCCCCCOP(=O)([O-])C(O)P(=O)(O)O.CCCCCCCCCCCCCCCCOP(=O)([O-])C(O)P(=O)(O)O.[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/4C17H38O7P2.4Na/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-26(22,23)17(18)25(19,20)21;;;;/h4*17-18H,2-16H2,1H3,(H,22,23)(H2,19,20,21);;;;/q;;;;4*+1/p-4
InChIKeyUTCKJPKEAXSEFO-UHFFFAOYSA-J
XLogP5.98
TPSA508.48 Ų
H-Bond Donors12
H-Bond Acceptors20
Rotatable Bonds72
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001753.66
LogP ≤ 55.98
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1020

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

sodium [hydroxy(phosphono)methyl]-pentadecoxyphosphinate
CID 23663925
sodium;dihydrogen phosphate;heptyl dihydrogen phosphate
CID 172707901
octacosyl hydrogen phosphate
CID 20569356
dipotassium;octadecyl phosphate
CID 20511704
calcium tetradecyl phosphate
CID 172742428
disodium bis(dioctadecyl phosphate)
CID 172826116
disodium;zinc;bis(hexadecyl phosphate)
CID 71736811
calcium dotriacontyl phosphate
CID 164901019
dilithium;tetradecyl phosphate
CID 139820221
aluminum nonyl phosphate
CID 19089706
dilithium;tridecyl phosphate
CID 159999815
azanium tetradecyl phosphate
CID 19028533

Frequently Asked Questions

What is the IUPAC name of tetrasodium;tetrakis(hexadecoxy-[hydroxy(phosphono)methyl]phosphinate)?
The IUPAC name of tetrasodium;tetrakis(hexadecoxy-[hydroxy(phosphono)methyl]phosphinate) (CID 173412799) is tetrasodium;tetrakis(hexadecoxy-[hydroxy(phosphono)methyl]phosphinate).
What is the SMILES notation for tetrasodium;tetrakis(hexadecoxy-[hydroxy(phosphono)methyl]phosphinate)?
The canonical SMILES for tetrasodium;tetrakis(hexadecoxy-[hydroxy(phosphono)methyl]phosphinate) is CCCCCCCCCCCCCCCCOP(=O)([O-])C(O)P(=O)(O)O.CCCCCCCCCCCCCCCCOP(=O)([O-])C(O)P(=O)(O)O.CCCCCCCCCCCCCCCCOP(=O)([O-])C(O)P(=O)(O)O.CCCCCCCCCCCCCCCCOP(=O)([O-])C(O)P(=O)(O)O.[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;tetrakis(hexadecoxy-[hydroxy(phosphono)methyl]phosphinate)?
The InChIKey is UTCKJPKEAXSEFO-UHFFFAOYSA-J. The full InChI is InChI=1S/4C17H38O7P2.4Na/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-26(22,23)17(18)25(19,20)21;;;;/h4*17-18H,2-16H2,1H3,(H,22,23)(H2,19,20,21);;;;/q;;;;4*+1/p-4.
What are the key properties of tetrasodium;tetrakis(hexadecoxy-[hydroxy(phosphono)methyl]phosphinate)?
tetrasodium;tetrakis(hexadecoxy-[hydroxy(phosphono)methyl]phosphinate) has a molecular weight of 1753.66 g/mol, XLogP of 5.98, 72 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;tetrakis(hexadecoxy-[hydroxy(phosphono)methyl]phosphinate) is sourced from PubChem (CID 173412799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).