tetrasodium;hydride;tetrakis((1-hydroxy-1-phosphonononyl)phosphonic acid)

C36H92Na4O28P8 — CID 173412899

IUPACtetrasodium;hydride;tetrakis((1-hydroxy-1-phosphonononyl)phosphonic acid)
SMILESCCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O.CCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O.CCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O.CCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O.[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/4C9H22O7P2.4Na.4H/c4*1-2-3-4-5-6-7-8-9(10,17(11,12)13)18(14,15)16;;;;;;;;/h4*10H,2-8H2,1H3,(H2,11,12,13)(H2,14,15,16);;;;;;;;/q;;;;4*+1;4*-1
InChIKeyHCFFSUGCVHHZOJ-UHFFFAOYSA-N
MW1312.86 g/mol
LogP-4.58
Rot. Bonds36

About tetrasodium;hydride;tetrakis((1-hydroxy-1-phosphonononyl)phosphonic acid)

tetrasodium;hydride;tetrakis((1-hydroxy-1-phosphonononyl)phosphonic acid) (PubChem CID 173412899) has the molecular formula C36H92Na4O28P8 and a molecular weight of 1312.86 g/mol. Its IUPAC name is tetrasodium;hydride;tetrakis((1-hydroxy-1-phosphonononyl)phosphonic acid).

Molecular Properties

Compound Nametetrasodium;hydride;tetrakis((1-hydroxy-1-phosphonononyl)phosphonic acid)
PubChem CID173412899
Molecular FormulaC36H92Na4O28P8
Molecular Weight1312.86 g/mol
Exact Mass1312.33
IUPAC Nametetrasodium;hydride;tetrakis((1-hydroxy-1-phosphonononyl)phosphonic acid)
SMILESCCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O.CCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O.CCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O.CCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O.[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/4C9H22O7P2.4Na.4H/c4*1-2-3-4-5-6-7-8-9(10,17(11,12)13)18(14,15)16;;;;;;;;/h4*10H,2-8H2,1H3,(H2,11,12,13)(H2,14,15,16);;;;;;;;/q;;;;4*+1;4*-1
InChIKeyHCFFSUGCVHHZOJ-UHFFFAOYSA-N
XLogP-4.58
TPSA541.16 Ų
H-Bond Donors20
H-Bond Acceptors12
Rotatable Bonds36
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001312.86
LogP ≤ 5-4.58
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1012

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

(1-hydroxy-1-phosphonohenicosyl)phosphonic acid
CID 57218930
tetrasodium;(1,12-dihydroxy-12,12-diphosphonato-1-phosphonododecyl)phosphonic acid
CID 102068584
disodium;(4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid;hydride
CID 172998840
(1-dimethylphosphoryl-1,6-dihydroxy-6,6-diphosphonohexyl)phosphonic acid
CID 146589445
8-heptylpentacosan-8-ylphosphonic acid
CID 151553369
[4-(dodecanoylamino)-1-hydroxy-1-phosphonobutyl]phosphonic acid
CID 53248987
8-methylpentadecan-8-ylphosphonic acid
CID 134232288
2-phosphonononan-2-ylphosphonic acid
CID 141214497
[1-hydroxy-4-[hydroxy(methyl)phosphoryl]-1-phosphonobutyl]phosphonic acid
CID 22164393
sodium;(4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid;hydride;hydrate
CID 173035382
(10-hydroxy-10,10-diphosphonodecyl)-trimethylazanium
CID 157356685
carbanylium;1,1-diphosphonatododecan-1-ol;bis(yttrium)
CID 158889526

Frequently Asked Questions

What is the IUPAC name of tetrasodium;hydride;tetrakis((1-hydroxy-1-phosphonononyl)phosphonic acid)?
The IUPAC name of tetrasodium;hydride;tetrakis((1-hydroxy-1-phosphonononyl)phosphonic acid) (CID 173412899) is tetrasodium;hydride;tetrakis((1-hydroxy-1-phosphonononyl)phosphonic acid).
What is the SMILES notation for tetrasodium;hydride;tetrakis((1-hydroxy-1-phosphonononyl)phosphonic acid)?
The canonical SMILES for tetrasodium;hydride;tetrakis((1-hydroxy-1-phosphonononyl)phosphonic acid) is CCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O.CCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O.CCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O.CCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O.[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;hydride;tetrakis((1-hydroxy-1-phosphonononyl)phosphonic acid)?
The InChIKey is HCFFSUGCVHHZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H22O7P2.4Na.4H/c4*1-2-3-4-5-6-7-8-9(10,17(11,12)13)18(14,15)16;;;;;;;;/h4*10H,2-8H2,1H3,(H2,11,12,13)(H2,14,15,16);;;;;;;;/q;;;;4*+1;4*-1.
What are the key properties of tetrasodium;hydride;tetrakis((1-hydroxy-1-phosphonononyl)phosphonic acid)?
tetrasodium;hydride;tetrakis((1-hydroxy-1-phosphonononyl)phosphonic acid) has a molecular weight of 1312.86 g/mol, XLogP of -4.58, 36 rotatable bonds, 20 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;hydride;tetrakis((1-hydroxy-1-phosphonononyl)phosphonic acid) is sourced from PubChem (CID 173412899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).