tetrasodium;hydride;[hydroxy(phenoxy)phosphoryl]methylphosphonic acid

C28H44Na4O24P8 — CID 173412594

IUPACtetrasodium;hydride;[hydroxy(phenoxy)phosphoryl]methylphosphonic acid
SMILESO=P(O)(O)CP(=O)(O)Oc1ccccc1.O=P(O)(O)CP(=O)(O)Oc1ccccc1.O=P(O)(O)CP(=O)(O)Oc1ccccc1.O=P(O)(O)CP(=O)(O)Oc1ccccc1.[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/4C7H10O6P2.4Na.4H/c4*8-14(9,10)6-15(11,12)13-7-4-2-1-3-5-7;;;;;;;;/h4*1-5H,6H2,(H,11,12)(H2,8,9,10);;;;;;;;/q;;;;4*+1;4*-1
InChIKeyLXTDTXGETHSXKZ-UHFFFAOYSA-N
MW1104.39 g/mol
LogP-5.99
Rot. Bonds16

About tetrasodium;hydride;[hydroxy(phenoxy)phosphoryl]methylphosphonic acid

tetrasodium;hydride;[hydroxy(phenoxy)phosphoryl]methylphosphonic acid (PubChem CID 173412594) has the molecular formula C28H44Na4O24P8 and a molecular weight of 1104.39 g/mol. Its IUPAC name is tetrasodium;hydride;[hydroxy(phenoxy)phosphoryl]methylphosphonic acid.

Molecular Properties

Compound Nametetrasodium;hydride;[hydroxy(phenoxy)phosphoryl]methylphosphonic acid
PubChem CID173412594
Molecular FormulaC28H44Na4O24P8
Molecular Weight1104.39 g/mol
Exact Mass1103.97
IUPAC Nametetrasodium;hydride;[hydroxy(phenoxy)phosphoryl]methylphosphonic acid
SMILESO=P(O)(O)CP(=O)(O)Oc1ccccc1.O=P(O)(O)CP(=O)(O)Oc1ccccc1.O=P(O)(O)CP(=O)(O)Oc1ccccc1.O=P(O)(O)CP(=O)(O)Oc1ccccc1.[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/4C7H10O6P2.4Na.4H/c4*8-14(9,10)6-15(11,12)13-7-4-2-1-3-5-7;;;;;;;;/h4*1-5H,6H2,(H,11,12)(H2,8,9,10);;;;;;;;/q;;;;4*+1;4*-1
InChIKeyLXTDTXGETHSXKZ-UHFFFAOYSA-N
XLogP-5.99
TPSA416.24 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001104.39
LogP ≤ 5-5.99
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;phenacyl(phenoxy)phosphinic acid
CID 174747840
benzyl(phenoxy)phosphinic acid
CID 54071062
phenyl dihydrogen phosphate;2-phosphonoethylphosphonic acid
CID 158952926
2,2-dimethylpropyl(phenoxy)phosphinic acid
CID 20835951
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
CID 131875092
CID 131875092
diphenyl hydrogen phosphate;dihydrate
CID 21115845
diphenyl hydrogen phosphate;silane
CID 175425543
[hydroxy(phenoxy)phosphoryl]oxidanium
CID 102269872
dichloromethane;diphenyl hydrogen phosphate;hydrochloride
CID 174445960
phenoxy(undecyl)phosphinic acid
CID 87383274
(4-chlorophenyl)methyl-phenoxyphosphinic acid
CID 22932200

Frequently Asked Questions

What is the IUPAC name of tetrasodium;hydride;[hydroxy(phenoxy)phosphoryl]methylphosphonic acid?
The IUPAC name of tetrasodium;hydride;[hydroxy(phenoxy)phosphoryl]methylphosphonic acid (CID 173412594) is tetrasodium;hydride;[hydroxy(phenoxy)phosphoryl]methylphosphonic acid.
What is the SMILES notation for tetrasodium;hydride;[hydroxy(phenoxy)phosphoryl]methylphosphonic acid?
The canonical SMILES for tetrasodium;hydride;[hydroxy(phenoxy)phosphoryl]methylphosphonic acid is O=P(O)(O)CP(=O)(O)Oc1ccccc1.O=P(O)(O)CP(=O)(O)Oc1ccccc1.O=P(O)(O)CP(=O)(O)Oc1ccccc1.O=P(O)(O)CP(=O)(O)Oc1ccccc1.[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;hydride;[hydroxy(phenoxy)phosphoryl]methylphosphonic acid?
The InChIKey is LXTDTXGETHSXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C7H10O6P2.4Na.4H/c4*8-14(9,10)6-15(11,12)13-7-4-2-1-3-5-7;;;;;;;;/h4*1-5H,6H2,(H,11,12)(H2,8,9,10);;;;;;;;/q;;;;4*+1;4*-1.
What are the key properties of tetrasodium;hydride;[hydroxy(phenoxy)phosphoryl]methylphosphonic acid?
tetrasodium;hydride;[hydroxy(phenoxy)phosphoryl]methylphosphonic acid has a molecular weight of 1104.39 g/mol, XLogP of -5.99, 16 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;hydride;[hydroxy(phenoxy)phosphoryl]methylphosphonic acid is sourced from PubChem (CID 173412594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).