bis(2,3-dihydroxybutanedioic acid);propane;tetrakis(propan-2-ol);titanium(2+)

C26H58O16Ti — CID 173253918

IUPACbis(2,3-dihydroxybutanedioic acid);propane;tetrakis(propan-2-ol);titanium(2+)
SMILESCC(C)O.CC(C)O.CC(C)O.CC(C)O.C[CH-]C.C[CH-]C.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O.[Ti+2]
InChIInChI=1S/2C4H6O6.4C3H8O.2C3H7.Ti/c2*5-1(3(7)8)2(6)4(9)10;4*1-3(2)4;2*1-3-2;/h2*1-2,5-6H,(H,7,8)(H,9,10);4*3-4H,1-2H3;2*3H,1-2H3;/q;;;;;;2*-1;+2
InChIKeyRTXWSPHWGWVWKP-UHFFFAOYSA-N
MW674.60 g/mol
LogP-0.24
Rot. Bonds6

About bis(2,3-dihydroxybutanedioic acid);propane;tetrakis(propan-2-ol);titanium(2+)

bis(2,3-dihydroxybutanedioic acid);propane;tetrakis(propan-2-ol);titanium(2+) (PubChem CID 173253918) has the molecular formula C26H58O16Ti and a molecular weight of 674.60 g/mol. Its IUPAC name is bis(2,3-dihydroxybutanedioic acid);propane;tetrakis(propan-2-ol);titanium(2+).

Molecular Properties

Compound Namebis(2,3-dihydroxybutanedioic acid);propane;tetrakis(propan-2-ol);titanium(2+)
PubChem CID173253918
Molecular FormulaC26H58O16Ti
Molecular Weight674.60 g/mol
Exact Mass674.32
IUPAC Namebis(2,3-dihydroxybutanedioic acid);propane;tetrakis(propan-2-ol);titanium(2+)
SMILESCC(C)O.CC(C)O.CC(C)O.CC(C)O.C[CH-]C.C[CH-]C.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O.[Ti+2]
InChIInChI=1S/2C4H6O6.4C3H8O.2C3H7.Ti/c2*5-1(3(7)8)2(6)4(9)10;4*1-3(2)4;2*1-3-2;/h2*1-2,5-6H,(H,7,8)(H,9,10);4*3-4H,1-2H3;2*3H,1-2H3;/q;;;;;;2*-1;+2
InChIKeyRTXWSPHWGWVWKP-UHFFFAOYSA-N
XLogP-0.24
TPSA311.04 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500674.60
LogP ≤ 5-0.24
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze bis(2,3-dihydroxybutanedioic acid);propane;tetrakis(propan-2-ol);titanium(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

oxotitanium(2+);propane;bis(propan-2-ol)
CID 87058095
2,3-dihydroxybutanedioic acid;iron(2+)
CID 3083786
(2R,3S)-2,3-dihydroxybutanedioic acid;zinc
CID 175911129
2,3-dihydroxybutanedioic acid;rhodium
CID 88806318
alumane;2,3-dihydroxybutanedioic acid
CID 173001814
azane;(2R,3S)-2,3-dihydroxybutanedioic acid
CID 175972290
CID 175721627
CID 175721627
CID 88745910
CID 88745910
2,3-dihydroxybutanedioic acid;1-(1-hydroxyethylamino)ethanol
CID 173051476
2,3-dihydroxybutanedioic acid;bis(oxovanadium)
CID 174653696
sodium;boranuide;2,3-dihydroxybutanedioic acid
CID 175293038
copper;2,3-dihydroxybutanedioic acid;zirconium
CID 174738764

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dihydroxybutanedioic acid);propane;tetrakis(propan-2-ol);titanium(2+)?
The IUPAC name of bis(2,3-dihydroxybutanedioic acid);propane;tetrakis(propan-2-ol);titanium(2+) (CID 173253918) is bis(2,3-dihydroxybutanedioic acid);propane;tetrakis(propan-2-ol);titanium(2+).
What is the SMILES notation for bis(2,3-dihydroxybutanedioic acid);propane;tetrakis(propan-2-ol);titanium(2+)?
The canonical SMILES for bis(2,3-dihydroxybutanedioic acid);propane;tetrakis(propan-2-ol);titanium(2+) is CC(C)O.CC(C)O.CC(C)O.CC(C)O.C[CH-]C.C[CH-]C.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O.[Ti+2].
What is the InChIKey of bis(2,3-dihydroxybutanedioic acid);propane;tetrakis(propan-2-ol);titanium(2+)?
The InChIKey is RTXWSPHWGWVWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6O6.4C3H8O.2C3H7.Ti/c2*5-1(3(7)8)2(6)4(9)10;4*1-3(2)4;2*1-3-2;/h2*1-2,5-6H,(H,7,8)(H,9,10);4*3-4H,1-2H3;2*3H,1-2H3;/q;;;;;;2*-1;+2.
What are the key properties of bis(2,3-dihydroxybutanedioic acid);propane;tetrakis(propan-2-ol);titanium(2+)?
bis(2,3-dihydroxybutanedioic acid);propane;tetrakis(propan-2-ol);titanium(2+) has a molecular weight of 674.60 g/mol, XLogP of -0.24, 6 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dihydroxybutanedioic acid);propane;tetrakis(propan-2-ol);titanium(2+) is sourced from PubChem (CID 173253918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).