(2R,3R)-2,3-dideuterioheptanoic acid

C7H14O2 — CID 11073457

IUPAC(2R,3R)-2,3-dideuterioheptanoic acid
SMILES[2H][C@H](CCCC)[C@@H]([2H])C(=O)O
InChIInChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)/i5D,6D/t5-,6-/m1/s1
InChIKeyMNWFXJYAOYHMED-TZYORUCZSA-N
MW132.20 g/mol
LogP2.04
Rot. Bonds5

About (2R,3R)-2,3-dideuterioheptanoic acid

(2R,3R)-2,3-dideuterioheptanoic acid (PubChem CID 11073457) has the molecular formula C7H14O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is (2R,3R)-2,3-dideuterioheptanoic acid.

Molecular Properties

Compound Name(2R,3R)-2,3-dideuterioheptanoic acid
PubChem CID11073457
Molecular FormulaC7H14O2
Molecular Weight132.20 g/mol
Exact Mass132.11
IUPAC Name(2R,3R)-2,3-dideuterioheptanoic acid
SMILES[2H][C@H](CCCC)[C@@H]([2H])C(=O)O
InChIInChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)/i5D,6D/t5-,6-/m1/s1
InChIKeyMNWFXJYAOYHMED-TZYORUCZSA-N
XLogP2.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-deuteriooctanoic acid
CID 175705635
carbonic acid;bis(hexane)
CID 173367789
2,3-dideuterio-1-phenylnonan-1-one
CID 102082547
(11R)-9,9,10,10,11-pentadeuteriohexadecanoic acid
CID 25240600
decane;propanoic acid
CID 158826686
butanoic acid;hexane
CID 173374540
butanoic acid;octakis(hexane)
CID 173316169
azane;dodecane;propanoic acid
CID 173003652
bis(butanedioic acid);decane
CID 159628544
icosane;oxalic acid
CID 175691290
acetic acid;decane
CID 172853582
acetic acid;nonane
CID 174272180

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dideuterioheptanoic acid?
The IUPAC name of (2R,3R)-2,3-dideuterioheptanoic acid (CID 11073457) is (2R,3R)-2,3-dideuterioheptanoic acid.
What is the SMILES notation for (2R,3R)-2,3-dideuterioheptanoic acid?
The canonical SMILES for (2R,3R)-2,3-dideuterioheptanoic acid is [2H][C@H](CCCC)[C@@H]([2H])C(=O)O.
What is the InChIKey of (2R,3R)-2,3-dideuterioheptanoic acid?
The InChIKey is MNWFXJYAOYHMED-TZYORUCZSA-N. The full InChI is InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)/i5D,6D/t5-,6-/m1/s1.
What are the key properties of (2R,3R)-2,3-dideuterioheptanoic acid?
(2R,3R)-2,3-dideuterioheptanoic acid has a molecular weight of 132.20 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dideuterioheptanoic acid is sourced from PubChem (CID 11073457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).