tetrasodium;hydride;tetrakis([hydroxy-[hydroxy(methoxy)phosphoryl]methyl]phosphonic acid)

C8H36Na4O28P8 — CID 173412667

IUPACtetrasodium;hydride;tetrakis([hydroxy-[hydroxy(methoxy)phosphoryl]methyl]phosphonic acid)
SMILESCOP(=O)(O)C(O)P(=O)(O)O.COP(=O)(O)C(O)P(=O)(O)O.COP(=O)(O)C(O)P(=O)(O)O.COP(=O)(O)C(O)P(=O)(O)O.[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/4C2H8O7P2.4Na.4H/c4*1-9-11(7,8)2(3)10(4,5)6;;;;;;;;/h4*2-3H,1H3,(H,7,8)(H2,4,5,6);;;;;;;;/q;;;;4*+1;4*-1
InChIKeyWZAKWYUPEFGZJB-UHFFFAOYSA-N
MW920.10 g/mol
LogP-14.45
Rot. Bonds12

About tetrasodium;hydride;tetrakis([hydroxy-[hydroxy(methoxy)phosphoryl]methyl]phosphonic acid)

tetrasodium;hydride;tetrakis([hydroxy-[hydroxy(methoxy)phosphoryl]methyl]phosphonic acid) (PubChem CID 173412667) has the molecular formula C8H36Na4O28P8 and a molecular weight of 920.10 g/mol. Its IUPAC name is tetrasodium;hydride;tetrakis([hydroxy-[hydroxy(methoxy)phosphoryl]methyl]phosphonic acid).

Molecular Properties

Compound Nametetrasodium;hydride;tetrakis([hydroxy-[hydroxy(methoxy)phosphoryl]methyl]phosphonic acid)
PubChem CID173412667
Molecular FormulaC8H36Na4O28P8
Molecular Weight920.10 g/mol
Exact Mass919.89
IUPAC Nametetrasodium;hydride;tetrakis([hydroxy-[hydroxy(methoxy)phosphoryl]methyl]phosphonic acid)
SMILESCOP(=O)(O)C(O)P(=O)(O)O.COP(=O)(O)C(O)P(=O)(O)O.COP(=O)(O)C(O)P(=O)(O)O.COP(=O)(O)C(O)P(=O)(O)O.[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/4C2H8O7P2.4Na.4H/c4*1-9-11(7,8)2(3)10(4,5)6;;;;;;;;/h4*2-3H,1H3,(H,7,8)(H2,4,5,6);;;;;;;;/q;;;;4*+1;4*-1
InChIKeyWZAKWYUPEFGZJB-UHFFFAOYSA-N
XLogP-14.45
TPSA497.16 Ų
H-Bond Donors16
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500920.10
LogP ≤ 5-14.45
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Related Compounds

sodium;azane;dimethyl hydrogen phosphate;hydride
CID 175474279
[(1R)-1-[[(2R)-2-hydroxypropanoyl]amino]ethyl]-methoxyphosphinic acid
CID 10104576
dipotassium;hydride;methyl dihydrogen phosphate
CID 174980148
trihydroxy-[hydroxy(methoxy)phosphoryl]carbonylphosphanium
CID 56626308
2-[hydroxy(methoxy)phosphoryl]butanedioic acid
CID 19418286
sodium;hydride;phosphoric acid;propan-2-one
CID 175134033
carbanylium;methyl dihydrogen phosphate
CID 165007935
potassium;hydride;phosphoric acid;trimethyl phosphate
CID 174889020
[methoxy(phosphono)methyl]phosphonic acid
CID 12578053
dihydroxymethylphosphonic acid
CID 13034651
sodium;hydride;methanol;phosphoric acid
CID 174975511
dipotassium;[hydroxy(phosphonato)methyl]phosphonic acid
CID 155666645

Frequently Asked Questions

What is the IUPAC name of tetrasodium;hydride;tetrakis([hydroxy-[hydroxy(methoxy)phosphoryl]methyl]phosphonic acid)?
The IUPAC name of tetrasodium;hydride;tetrakis([hydroxy-[hydroxy(methoxy)phosphoryl]methyl]phosphonic acid) (CID 173412667) is tetrasodium;hydride;tetrakis([hydroxy-[hydroxy(methoxy)phosphoryl]methyl]phosphonic acid).
What is the SMILES notation for tetrasodium;hydride;tetrakis([hydroxy-[hydroxy(methoxy)phosphoryl]methyl]phosphonic acid)?
The canonical SMILES for tetrasodium;hydride;tetrakis([hydroxy-[hydroxy(methoxy)phosphoryl]methyl]phosphonic acid) is COP(=O)(O)C(O)P(=O)(O)O.COP(=O)(O)C(O)P(=O)(O)O.COP(=O)(O)C(O)P(=O)(O)O.COP(=O)(O)C(O)P(=O)(O)O.[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;hydride;tetrakis([hydroxy-[hydroxy(methoxy)phosphoryl]methyl]phosphonic acid)?
The InChIKey is WZAKWYUPEFGZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/4C2H8O7P2.4Na.4H/c4*1-9-11(7,8)2(3)10(4,5)6;;;;;;;;/h4*2-3H,1H3,(H,7,8)(H2,4,5,6);;;;;;;;/q;;;;4*+1;4*-1.
What are the key properties of tetrasodium;hydride;tetrakis([hydroxy-[hydroxy(methoxy)phosphoryl]methyl]phosphonic acid)?
tetrasodium;hydride;tetrakis([hydroxy-[hydroxy(methoxy)phosphoryl]methyl]phosphonic acid) has a molecular weight of 920.10 g/mol, XLogP of -14.45, 12 rotatable bonds, 16 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;hydride;tetrakis([hydroxy-[hydroxy(methoxy)phosphoryl]methyl]phosphonic acid) is sourced from PubChem (CID 173412667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).