(3R)-2,2,3,5-tetrahydroxy-3-methylpentanoic acid

C6H12O6 — CID 151869449

IUPAC(3R)-2,2,3,5-tetrahydroxy-3-methylpentanoic acid
SMILESC[C@@](O)(CCO)C(O)(O)C(=O)O
InChIInChI=1S/C6H12O6/c1-5(10,2-3-7)6(11,12)4(8)9/h7,10-12H,2-3H2,1H3,(H,8,9)/t5-/m1/s1
InChIKeySMJLCNIAAZOFAB-RXMQYKEDSA-N
MW180.16 g/mol
LogP-2.11
Rot. Bonds4

About (3R)-2,2,3,5-tetrahydroxy-3-methylpentanoic acid

(3R)-2,2,3,5-tetrahydroxy-3-methylpentanoic acid (PubChem CID 151869449) has the molecular formula C6H12O6 and a molecular weight of 180.16 g/mol. Its IUPAC name is (3R)-2,2,3,5-tetrahydroxy-3-methylpentanoic acid.

Molecular Properties

Compound Name(3R)-2,2,3,5-tetrahydroxy-3-methylpentanoic acid
PubChem CID151869449
Molecular FormulaC6H12O6
Molecular Weight180.16 g/mol
Exact Mass180.06
IUPAC Name(3R)-2,2,3,5-tetrahydroxy-3-methylpentanoic acid
SMILESC[C@@](O)(CCO)C(O)(O)C(=O)O
InChIInChI=1S/C6H12O6/c1-5(10,2-3-7)6(11,12)4(8)9/h7,10-12H,2-3H2,1H3,(H,8,9)/t5-/m1/s1
InChIKeySMJLCNIAAZOFAB-RXMQYKEDSA-N
XLogP-2.11
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-2.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-4-hydroxy-2-methylbutanoic acid
CID 106487157
2-chloro-4-hydroxy-2-methylbutanoic acid
CID 54026852
carbamic acid;3,3-dimethylbutan-1-ol
CID 71436896
azane;2-hydroxy-2-(2-hydroxyethoxy)propanoic acid
CID 175336069
3,5-dihydroxy-3-methylpentanoic acid;ethene
CID 174870453
acetic acid;3,5-dihydroxy-3-methylpentanoic acid
CID 175134746
tetrakis(2,2-dimethylpropanoic acid);molybdenum
CID 171378141
2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid
CID 71309334
2-cyclopropyl-4-hydroxy-2-methylbutanoic acid
CID 83153767
azane;5-hydroxy-2,2-dimethylpentanoic acid
CID 172678902
2-(4-hydroxybutyl)-2-methylpropanedioic acid
CID 11788743
2-(2-hydroxyethyl)-3-methyl-2-propan-2-ylbutanoic acid
CID 139601458

Frequently Asked Questions

What is the IUPAC name of (3R)-2,2,3,5-tetrahydroxy-3-methylpentanoic acid?
The IUPAC name of (3R)-2,2,3,5-tetrahydroxy-3-methylpentanoic acid (CID 151869449) is (3R)-2,2,3,5-tetrahydroxy-3-methylpentanoic acid.
What is the SMILES notation for (3R)-2,2,3,5-tetrahydroxy-3-methylpentanoic acid?
The canonical SMILES for (3R)-2,2,3,5-tetrahydroxy-3-methylpentanoic acid is C[C@@](O)(CCO)C(O)(O)C(=O)O.
What is the InChIKey of (3R)-2,2,3,5-tetrahydroxy-3-methylpentanoic acid?
The InChIKey is SMJLCNIAAZOFAB-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H12O6/c1-5(10,2-3-7)6(11,12)4(8)9/h7,10-12H,2-3H2,1H3,(H,8,9)/t5-/m1/s1.
What are the key properties of (3R)-2,2,3,5-tetrahydroxy-3-methylpentanoic acid?
(3R)-2,2,3,5-tetrahydroxy-3-methylpentanoic acid has a molecular weight of 180.16 g/mol, XLogP of -2.11, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2,3,5-tetrahydroxy-3-methylpentanoic acid is sourced from PubChem (CID 151869449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).