disodium;(4S)-5-hydroxy-4-(1-oxidotetradecylideneamino)-5-oxopentanoate

C19H33NNa2O5 — CID 101614236

IUPACdisodium;(4S)-5-hydroxy-4-(1-oxidotetradecylideneamino)-5-oxopentanoate
SMILESCCCCCCCCCCCCCC(=N[C@@H](CCC(=O)[O-])C(=O)O)[O-].[Na+].[Na+]
InChIInChI=1S/C19H35NO5.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(21)20-16(19(24)25)14-15-18(22)23;;/h16H,2-15H2,1H3,(H,20,21)(H,22,23)(H,24,25);;/q;2*+1/p-2/t16-;;/m0../s1
InChIKeySXBBFOVRSQCYFE-SQKCAUCHSA-L
MW401.40 g/mol
LogP—
Rot. Bonds16

About disodium;(4S)-5-hydroxy-4-(1-oxidotetradecylideneamino)-5-oxopentanoate

disodium;(4S)-5-hydroxy-4-(1-oxidotetradecylideneamino)-5-oxopentanoate (PubChem CID 101614236) has the molecular formula C19H33NNa2O5 and a molecular weight of 401.40 g/mol. Its IUPAC name is disodium;(4S)-5-hydroxy-4-(1-oxidotetradecylideneamino)-5-oxopentanoate.

Molecular Properties

Compound Namedisodium;(4S)-5-hydroxy-4-(1-oxidotetradecylideneamino)-5-oxopentanoate
PubChem CID101614236
Molecular FormulaC19H33NNa2O5
Molecular Weight401.40 g/mol
Exact Mass401.22
IUPAC Namedisodium;(4S)-5-hydroxy-4-(1-oxidotetradecylideneamino)-5-oxopentanoate
SMILESCCCCCCCCCCCCCC(=N[C@@H](CCC(=O)[O-])C(=O)O)[O-].[Na+].[Na+]
InChIInChI=1S/C19H35NO5.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(21)20-16(19(24)25)14-15-18(22)23;;/h16H,2-15H2,1H3,(H,20,21)(H,22,23)(H,24,25);;/q;2*+1/p-2/t16-;;/m0../s1
InChIKeySXBBFOVRSQCYFE-SQKCAUCHSA-L
XLogP—
TPSA113.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms27
Complexity390

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

disodium;(4S)-5-hydroxy-4-(1-oxidohexadecylideneamino)-5-oxopentanoate
CID 100965720
disodium;(4S)-5-hydroxy-4-(1-oxidododecylideneamino)-5-oxopentanoate
CID 100965722
C17H30NNaO5
CID 101609596
sodium N-[(1S)-1,3-dicarboxypropyl]tetradecanimidate
CID 101674053
sodium N-[(1S)-1,3-dicarboxypropyl]octadecanimidate
CID 101733944
disodium;(4S)-5-hydroxy-4-(1-oxidooctadecylideneamino)-5-oxopentanoate
CID 101827023
dipotassium;(4S)-5-hydroxy-4-(1-oxidododecylideneamino)-5-oxopentanoate
CID 102244444
potassium N-[(1S)-1,3-dicarboxypropyl]dodecanimidate
CID 102373570
sodium N-[(1R)-1,3-dicarboxypropyl]dodecanimidate
CID 170847964
Sodium;4-(dodecanoylamino)-5-hydroxy-5-oxo-pentanoate
CID 170847965
sodium N-[(1S)-1,3-dicarboxypropyl]hexadecanimidate
CID 170848045
potassium N-[(1S)-1,3-dicarboxypropyl]octadecanimidate
CID 170851741

Frequently Asked Questions

What is the IUPAC name of disodium;(4S)-5-hydroxy-4-(1-oxidotetradecylideneamino)-5-oxopentanoate?
The IUPAC name of disodium;(4S)-5-hydroxy-4-(1-oxidotetradecylideneamino)-5-oxopentanoate (CID 101614236) is disodium;(4S)-5-hydroxy-4-(1-oxidotetradecylideneamino)-5-oxopentanoate.
What is the SMILES notation for disodium;(4S)-5-hydroxy-4-(1-oxidotetradecylideneamino)-5-oxopentanoate?
The canonical SMILES for disodium;(4S)-5-hydroxy-4-(1-oxidotetradecylideneamino)-5-oxopentanoate is CCCCCCCCCCCCCC(=N[C@@H](CCC(=O)[O-])C(=O)O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;(4S)-5-hydroxy-4-(1-oxidotetradecylideneamino)-5-oxopentanoate?
The InChIKey is SXBBFOVRSQCYFE-SQKCAUCHSA-L. The full InChI is InChI=1S/C19H35NO5.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(21)20-16(19(24)25)14-15-18(22)23;;/h16H,2-15H2,1H3,(H,20,21)(H,22,23)(H,24,25);;/q;2*+1/p-2/t16-;;/m0../s1.
What are the key properties of disodium;(4S)-5-hydroxy-4-(1-oxidotetradecylideneamino)-5-oxopentanoate?
disodium;(4S)-5-hydroxy-4-(1-oxidotetradecylideneamino)-5-oxopentanoate has a molecular weight of 401.40 g/mol, XLogP of not available, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;(4S)-5-hydroxy-4-(1-oxidotetradecylideneamino)-5-oxopentanoate is sourced from PubChem (CID 101614236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).