butan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid

C8H16O7 — CID 162268367

IUPACbutan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid
SMILESCCCCO.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C4H6O6.C4H10O/c5-1(3(7)8)2(6)4(9)10;1-2-3-4-5/h1-2,5-6H,(H,7,8)(H,9,10);5H,2-4H2,1H3/t1-,2-;/m1./s1
InChIKeyWLSUINFTAJMZCD-ZVGUSBNCSA-N
MW224.21 g/mol
LogP-1.34
Rot. Bonds5

About butan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid

butan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid (PubChem CID 162268367) has the molecular formula C8H16O7 and a molecular weight of 224.21 g/mol. Its IUPAC name is butan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid.

Molecular Properties

Compound Namebutan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid
PubChem CID162268367
Molecular FormulaC8H16O7
Molecular Weight224.21 g/mol
Exact Mass224.09
IUPAC Namebutan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid
SMILESCCCCO.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C4H6O6.C4H10O/c5-1(3(7)8)2(6)4(9)10;1-2-3-4-5/h1-2,5-6H,(H,7,8)(H,9,10);5H,2-4H2,1H3/t1-,2-;/m1./s1
InChIKeyWLSUINFTAJMZCD-ZVGUSBNCSA-N
XLogP-1.34
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 5-1.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 158306418
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CID 175324133
2,3-dihydroxybutanedioic acid;tetrabutylazanium
CID 87904025
bis(2,3-dihydroxybutanedioic acid);heptane-1,2-diol
CID 162195278
(1,2,3,4-13C4)butan-1-ol
CID 71309697
butan-1-ol
CID 20532113
azane;butan-1-ol;2-hydroxyacetic acid
CID 173398964
butan-1-ol;propanedioic acid
CID 174602760
2-[butyl(2-hydroxyethoxy)amino]oxyethanol;2,3-dihydroxybutanedioic acid
CID 173031633
bis(butan-1-ol);hafnium;bis(propan-2-one)
CID 174752199
butan-1-ol;methanol;propan-2-ol
CID 23284119

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid?
The IUPAC name of butan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid (CID 162268367) is butan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid.
What is the SMILES notation for butan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid?
The canonical SMILES for butan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid is CCCCO.O=C(O)[C@H](O)[C@@H](O)C(=O)O.
What is the InChIKey of butan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid?
The InChIKey is WLSUINFTAJMZCD-ZVGUSBNCSA-N. The full InChI is InChI=1S/C4H6O6.C4H10O/c5-1(3(7)8)2(6)4(9)10;1-2-3-4-5/h1-2,5-6H,(H,7,8)(H,9,10);5H,2-4H2,1H3/t1-,2-;/m1./s1.
What are the key properties of butan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid?
butan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid has a molecular weight of 224.21 g/mol, XLogP of -1.34, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid is sourced from PubChem (CID 162268367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).