(3R)-6-borono-3-hydroxyheptanoic acid

C7H15BO5 — CID 172578906

IUPAC(3R)-6-borono-3-hydroxyheptanoic acid
SMILESCC(CC[C@@H](O)CC(=O)O)B(O)O
InChIInChI=1S/C7H15BO5/c1-5(8(12)13)2-3-6(9)4-7(10)11/h5-6,9,12-13H,2-4H2,1H3,(H,10,11)/t5?,6-/m1/s1
InChIKeyYKTZCFUJEWNJJE-PRJDIBJQSA-N
MW190.00 g/mol
LogP-0.53
Rot. Bonds6

About (3R)-6-borono-3-hydroxyheptanoic acid

(3R)-6-borono-3-hydroxyheptanoic acid (PubChem CID 172578906) has the molecular formula C7H15BO5 and a molecular weight of 190.00 g/mol. Its IUPAC name is (3R)-6-borono-3-hydroxyheptanoic acid.

Molecular Properties

Compound Name(3R)-6-borono-3-hydroxyheptanoic acid
PubChem CID172578906
Molecular FormulaC7H15BO5
Molecular Weight190.00 g/mol
Exact Mass190.10
IUPAC Name(3R)-6-borono-3-hydroxyheptanoic acid
SMILESCC(CC[C@@H](O)CC(=O)O)B(O)O
InChIInChI=1S/C7H15BO5/c1-5(8(12)13)2-3-6(9)4-7(10)11/h5-6,9,12-13H,2-4H2,1H3,(H,10,11)/t5?,6-/m1/s1
InChIKeyYKTZCFUJEWNJJE-PRJDIBJQSA-N
XLogP-0.53
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.00
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxyhexanoic acid;methane
CID 175209406
3,13-dihydroxytetradecanoic acid
CID 146242796
(3R,14R)-3,14-dihydroxypentadecanoic acid
CID 86289835
(3R,15S)-3,15-dihydroxyhexadecanoic acid
CID 100641841
2,2-bis(hydroxymethyl)propane-1,3-diol;3-hydroxybutanoic acid
CID 174844775
(2R)-2-ethyl-5-hydroxyheptanedioic acid
CID 59616410
3-hydroxynon-6-enoic acid
CID 57374123
3-hydroxyoctanoic acid
CID 159718411
(3S)-3-hydroxyheptanedioic acid
CID 87737490
3-hydroxyoctadecanoic acid
CID 158545826
3-hydroxytetracosanoic acid
CID 5312781
(E)-3-hydroxy-8,8-dimethylnon-6-enoic acid
CID 142275419

Frequently Asked Questions

What is the IUPAC name of (3R)-6-borono-3-hydroxyheptanoic acid?
The IUPAC name of (3R)-6-borono-3-hydroxyheptanoic acid (CID 172578906) is (3R)-6-borono-3-hydroxyheptanoic acid.
What is the SMILES notation for (3R)-6-borono-3-hydroxyheptanoic acid?
The canonical SMILES for (3R)-6-borono-3-hydroxyheptanoic acid is CC(CC[C@@H](O)CC(=O)O)B(O)O.
What is the InChIKey of (3R)-6-borono-3-hydroxyheptanoic acid?
The InChIKey is YKTZCFUJEWNJJE-PRJDIBJQSA-N. The full InChI is InChI=1S/C7H15BO5/c1-5(8(12)13)2-3-6(9)4-7(10)11/h5-6,9,12-13H,2-4H2,1H3,(H,10,11)/t5?,6-/m1/s1.
What are the key properties of (3R)-6-borono-3-hydroxyheptanoic acid?
(3R)-6-borono-3-hydroxyheptanoic acid has a molecular weight of 190.00 g/mol, XLogP of -0.53, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-borono-3-hydroxyheptanoic acid is sourced from PubChem (CID 172578906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).