disodium;4-(3-carboxy-2-hydroxypropoxy)-3-hydroxybutanoic acid;hydride

C8H16Na2O7 — CID 173266858

IUPACdisodium;4-(3-carboxy-2-hydroxypropoxy)-3-hydroxybutanoic acid;hydride
SMILESO=C(O)CC(O)COCC(O)CC(=O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C8H14O7.2Na.2H/c9-5(1-7(11)12)3-15-4-6(10)2-8(13)14;;;;/h5-6,9-10H,1-4H2,(H,11,12)(H,13,14);;;;/q;2*+1;2*-1
InChIKeySQBWJLCZVCJDJK-UHFFFAOYSA-N
MW270.19 g/mol
LogP-7.09
Rot. Bonds8

About disodium;4-(3-carboxy-2-hydroxypropoxy)-3-hydroxybutanoic acid;hydride

disodium;4-(3-carboxy-2-hydroxypropoxy)-3-hydroxybutanoic acid;hydride (PubChem CID 173266858) has the molecular formula C8H16Na2O7 and a molecular weight of 270.19 g/mol. Its IUPAC name is disodium;4-(3-carboxy-2-hydroxypropoxy)-3-hydroxybutanoic acid;hydride.

Molecular Properties

Compound Namedisodium;4-(3-carboxy-2-hydroxypropoxy)-3-hydroxybutanoic acid;hydride
PubChem CID173266858
Molecular FormulaC8H16Na2O7
Molecular Weight270.19 g/mol
Exact Mass270.07
IUPAC Namedisodium;4-(3-carboxy-2-hydroxypropoxy)-3-hydroxybutanoic acid;hydride
SMILESO=C(O)CC(O)COCC(O)CC(=O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C8H14O7.2Na.2H/c9-5(1-7(11)12)3-15-4-6(10)2-8(13)14;;;;/h5-6,9-10H,1-4H2,(H,11,12)(H,13,14);;;;/q;2*+1;2*-1
InChIKeySQBWJLCZVCJDJK-UHFFFAOYSA-N
XLogP-7.09
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 5-7.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-hydroxy-4-methoxybutanoic acid
CID 124506936
3-hydroxy-4-propan-2-yloxybutanoic acid
CID 65416827
(3R)-4-(18F)fluoro-3-hydroxybutanoic acid
CID 172854074
2,3-dihydroxypropyl (3R)-4-(2,3-dihydroxypropoxy)-3-hydroxybutanoate
CID 175521399
sodium;hydride;(3S)-3-hydroxybutanoic acid
CID 173289884
acetic acid;3-(2,3-dihydroxypropoxy)propane-1,2-diol
CID 161329261
(3S)-4-bromo-3-hydroxybutanoic acid;ethoxyethane
CID 71627707
3-hydroxypentanoic acid;methanol
CID 174973747
4-(4-fluorophenoxy)-3-hydroxybutanoic acid
CID 22564574
3-hydroxy-4-(2-hydroxyphenoxy)butanoic acid
CID 105465740
potassium;4-cyano-3-hydroxybutanoic acid;hydride
CID 173046665
3-hydroxy-4-methylsulfanylbutanoic acid
CID 82771148

Frequently Asked Questions

What is the IUPAC name of disodium;4-(3-carboxy-2-hydroxypropoxy)-3-hydroxybutanoic acid;hydride?
The IUPAC name of disodium;4-(3-carboxy-2-hydroxypropoxy)-3-hydroxybutanoic acid;hydride (CID 173266858) is disodium;4-(3-carboxy-2-hydroxypropoxy)-3-hydroxybutanoic acid;hydride.
What is the SMILES notation for disodium;4-(3-carboxy-2-hydroxypropoxy)-3-hydroxybutanoic acid;hydride?
The canonical SMILES for disodium;4-(3-carboxy-2-hydroxypropoxy)-3-hydroxybutanoic acid;hydride is O=C(O)CC(O)COCC(O)CC(=O)O.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;4-(3-carboxy-2-hydroxypropoxy)-3-hydroxybutanoic acid;hydride?
The InChIKey is SQBWJLCZVCJDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O7.2Na.2H/c9-5(1-7(11)12)3-15-4-6(10)2-8(13)14;;;;/h5-6,9-10H,1-4H2,(H,11,12)(H,13,14);;;;/q;2*+1;2*-1.
What are the key properties of disodium;4-(3-carboxy-2-hydroxypropoxy)-3-hydroxybutanoic acid;hydride?
disodium;4-(3-carboxy-2-hydroxypropoxy)-3-hydroxybutanoic acid;hydride has a molecular weight of 270.19 g/mol, XLogP of -7.09, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;4-(3-carboxy-2-hydroxypropoxy)-3-hydroxybutanoic acid;hydride is sourced from PubChem (CID 173266858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).