2,3-dihydroxybutanedioic acid;phosphoric acid;tetradecanoic acid

C18H37O12P — CID 175156332

IUPAC2,3-dihydroxybutanedioic acid;phosphoric acid;tetradecanoic acid
SMILESCCCCCCCCCCCCCC(=O)O.O=C(O)C(O)C(O)C(=O)O.O=P(O)(O)O
InChIInChI=1S/C14H28O2.C4H6O6.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;5-1(3(7)8)2(6)4(9)10;1-5(2,3)4/h2-13H2,1H3,(H,15,16);1-2,5-6H,(H,7,8)(H,9,10);(H3,1,2,3,4)
InChIKeyUGMKMFCRQFTCBX-UHFFFAOYSA-N
MW476.46 g/mol
LogP1.72
Rot. Bonds15

About 2,3-dihydroxybutanedioic acid;phosphoric acid;tetradecanoic acid

2,3-dihydroxybutanedioic acid;phosphoric acid;tetradecanoic acid (PubChem CID 175156332) has the molecular formula C18H37O12P and a molecular weight of 476.46 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioic acid;phosphoric acid;tetradecanoic acid.

Molecular Properties

Compound Name2,3-dihydroxybutanedioic acid;phosphoric acid;tetradecanoic acid
PubChem CID175156332
Molecular FormulaC18H37O12P
Molecular Weight476.46 g/mol
Exact Mass476.20
IUPAC Name2,3-dihydroxybutanedioic acid;phosphoric acid;tetradecanoic acid
SMILESCCCCCCCCCCCCCC(=O)O.O=C(O)C(O)C(O)C(=O)O.O=P(O)(O)O
InChIInChI=1S/C14H28O2.C4H6O6.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;5-1(3(7)8)2(6)4(9)10;1-5(2,3)4/h2-13H2,1H3,(H,15,16);1-2,5-6H,(H,7,8)(H,9,10);(H3,1,2,3,4)
InChIKeyUGMKMFCRQFTCBX-UHFFFAOYSA-N
XLogP1.72
TPSA230.12 Ų
H-Bond Donors8
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.46
LogP ≤ 51.72
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 106

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

octadecanoic acid;phosphoric acid
CID 160712069
butane-2,3-dione;2,3-dihydroxybutanedioic acid;octadecanoic acid
CID 87273230
calcium;hexadecanoic acid;hydride;phosphoric acid
CID 175154653
trisodium;hexadecanoic acid;hydride;phosphoric acid
CID 175161401
magnesium;docosanoic acid;hydride;phosphoric acid
CID 174993463
docosanoic acid;tetradecane
CID 157248197
pentakis(decanoic acid);tetradecanoic acid
CID 173200297
(1,12-13C2)dodecanoic acid
CID 71308916
henicosane;tetracontanoic acid
CID 175935348
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutanedioic acid;phosphoric acid;tetradecanoic acid?
The IUPAC name of 2,3-dihydroxybutanedioic acid;phosphoric acid;tetradecanoic acid (CID 175156332) is 2,3-dihydroxybutanedioic acid;phosphoric acid;tetradecanoic acid.
What is the SMILES notation for 2,3-dihydroxybutanedioic acid;phosphoric acid;tetradecanoic acid?
The canonical SMILES for 2,3-dihydroxybutanedioic acid;phosphoric acid;tetradecanoic acid is CCCCCCCCCCCCCC(=O)O.O=C(O)C(O)C(O)C(=O)O.O=P(O)(O)O.
What is the InChIKey of 2,3-dihydroxybutanedioic acid;phosphoric acid;tetradecanoic acid?
The InChIKey is UGMKMFCRQFTCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2.C4H6O6.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;5-1(3(7)8)2(6)4(9)10;1-5(2,3)4/h2-13H2,1H3,(H,15,16);1-2,5-6H,(H,7,8)(H,9,10);(H3,1,2,3,4).
What are the key properties of 2,3-dihydroxybutanedioic acid;phosphoric acid;tetradecanoic acid?
2,3-dihydroxybutanedioic acid;phosphoric acid;tetradecanoic acid has a molecular weight of 476.46 g/mol, XLogP of 1.72, 15 rotatable bonds, 8 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybutanedioic acid;phosphoric acid;tetradecanoic acid is sourced from PubChem (CID 175156332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).