disodium;hydride;N'-(2-hydroxyethyl)-16-methylheptadecanehydrazide;2-sulfobutanedioic acid

C24H50N2Na2O9S — CID 173035054

IUPACdisodium;hydride;N'-(2-hydroxyethyl)-16-methylheptadecanehydrazide;2-sulfobutanedioic acid
SMILESCC(C)CCCCCCCCCCCCCCC(=O)NNCCO.O=C(O)CC(C(=O)O)S(=O)(=O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C20H42N2O2.C4H6O7S.2Na.2H/c1-19(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-20(24)22-21-17-18-23;5-3(6)1-2(4(7)8)12(9,10)11;;;;/h19,21,23H,3-18H2,1-2H3,(H,22,24);2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);;;;/q;;2*+1;2*-1
InChIKeyHBSOUFQTJXDALU-UHFFFAOYSA-N
MW588.72 g/mol
LogP-2.25
Rot. Bonds22

About disodium;hydride;N'-(2-hydroxyethyl)-16-methylheptadecanehydrazide;2-sulfobutanedioic acid

disodium;hydride;N'-(2-hydroxyethyl)-16-methylheptadecanehydrazide;2-sulfobutanedioic acid (PubChem CID 173035054) has the molecular formula C24H50N2Na2O9S and a molecular weight of 588.72 g/mol. Its IUPAC name is disodium;hydride;N'-(2-hydroxyethyl)-16-methylheptadecanehydrazide;2-sulfobutanedioic acid.

Molecular Properties

Compound Namedisodium;hydride;N'-(2-hydroxyethyl)-16-methylheptadecanehydrazide;2-sulfobutanedioic acid
PubChem CID173035054
Molecular FormulaC24H50N2Na2O9S
Molecular Weight588.72 g/mol
Exact Mass588.30
IUPAC Namedisodium;hydride;N'-(2-hydroxyethyl)-16-methylheptadecanehydrazide;2-sulfobutanedioic acid
SMILESCC(C)CCCCCCCCCCCCCCC(=O)NNCCO.O=C(O)CC(C(=O)O)S(=O)(=O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C20H42N2O2.C4H6O7S.2Na.2H/c1-19(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-20(24)22-21-17-18-23;5-3(6)1-2(4(7)8)12(9,10)11;;;;/h19,21,23H,3-18H2,1-2H3,(H,22,24);2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);;;;/q;;2*+1;2*-1
InChIKeyHBSOUFQTJXDALU-UHFFFAOYSA-N
XLogP-2.25
TPSA190.33 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.72
LogP ≤ 5-2.25
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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CID 174741661
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CID 173181619
N-octyloctan-1-amine;2-sulfobutanedioic acid
CID 87358391
decanedioic acid;bis(6-methylheptan-1-ol)
CID 175516385
2-sulfobutanedioic acid;hydrate
CID 87187855
dodecanamide;2-sulfobutanedioic acid
CID 22635291
propane-1,2-diamine;bis(2-sulfobutanedioic acid)
CID 23212052
disodium;hydride;phosphoric acid;2-sulfobutanedioic acid
CID 174265305
4-(4-methylpentoxy)-4-oxo-3-sulfobutanoic acid
CID 22463796
2-sulfobutanedioic acid;undec-10-enoic acid
CID 87708260
sodium;azane;3-methanidylheptane;octane;2-sulfobutanedioic acid
CID 161230992
3-(7-methyloctanoylamino)propanoic acid
CID 115729984

Frequently Asked Questions

What is the IUPAC name of disodium;hydride;N'-(2-hydroxyethyl)-16-methylheptadecanehydrazide;2-sulfobutanedioic acid?
The IUPAC name of disodium;hydride;N'-(2-hydroxyethyl)-16-methylheptadecanehydrazide;2-sulfobutanedioic acid (CID 173035054) is disodium;hydride;N'-(2-hydroxyethyl)-16-methylheptadecanehydrazide;2-sulfobutanedioic acid.
What is the SMILES notation for disodium;hydride;N'-(2-hydroxyethyl)-16-methylheptadecanehydrazide;2-sulfobutanedioic acid?
The canonical SMILES for disodium;hydride;N'-(2-hydroxyethyl)-16-methylheptadecanehydrazide;2-sulfobutanedioic acid is CC(C)CCCCCCCCCCCCCCC(=O)NNCCO.O=C(O)CC(C(=O)O)S(=O)(=O)O.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;hydride;N'-(2-hydroxyethyl)-16-methylheptadecanehydrazide;2-sulfobutanedioic acid?
The InChIKey is HBSOUFQTJXDALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2O2.C4H6O7S.2Na.2H/c1-19(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-20(24)22-21-17-18-23;5-3(6)1-2(4(7)8)12(9,10)11;;;;/h19,21,23H,3-18H2,1-2H3,(H,22,24);2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);;;;/q;;2*+1;2*-1.
What are the key properties of disodium;hydride;N'-(2-hydroxyethyl)-16-methylheptadecanehydrazide;2-sulfobutanedioic acid?
disodium;hydride;N'-(2-hydroxyethyl)-16-methylheptadecanehydrazide;2-sulfobutanedioic acid has a molecular weight of 588.72 g/mol, XLogP of -2.25, 22 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydride;N'-(2-hydroxyethyl)-16-methylheptadecanehydrazide;2-sulfobutanedioic acid is sourced from PubChem (CID 173035054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).