(2R,3R)-5-deuterio-3-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxypent-4-ynal

C7H10O5 — CID 169098460

IUPAC(2R,3R)-5-deuterio-3-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxypent-4-ynal
SMILES[2H]C#C[C@@](O)([C@H](O)CO)[C@@H](O)C=O
InChIInChI=1S/C7H10O5/c1-2-7(12,5(10)3-8)6(11)4-9/h1,3,5-6,9-12H,4H2/t5-,6+,7-/m0/s1/i1D
InChIKeySKOFPLFAGZSYFM-IXVHPVLFSA-N
MW175.16 g/mol
LogP-2.74
Rot. Bonds4

About (2R,3R)-5-deuterio-3-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxypent-4-ynal

(2R,3R)-5-deuterio-3-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxypent-4-ynal (PubChem CID 169098460) has the molecular formula C7H10O5 and a molecular weight of 175.16 g/mol. Its IUPAC name is (2R,3R)-5-deuterio-3-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxypent-4-ynal.

Molecular Properties

Compound Name(2R,3R)-5-deuterio-3-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxypent-4-ynal
PubChem CID169098460
Molecular FormulaC7H10O5
Molecular Weight175.16 g/mol
Exact Mass175.06
IUPAC Name(2R,3R)-5-deuterio-3-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxypent-4-ynal
SMILES[2H]C#C[C@@](O)([C@H](O)CO)[C@@H](O)C=O
InChIInChI=1S/C7H10O5/c1-2-7(12,5(10)3-8)6(11)4-9/h1,3,5-6,9-12H,4H2/t5-,6+,7-/m0/s1/i1D
InChIKeySKOFPLFAGZSYFM-IXVHPVLFSA-N
XLogP-2.74
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.16
LogP ≤ 5-2.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-amino-2,3,4,5-tetrahydroxypentanal
CID 175181996
3,3,4,5-tetrahydroxypentanal
CID 142797222
1,1-diphosphorosopropane-1,2,3-triol
CID 19961049
2,3-dihydroxy-3-methylbutanal
CID 71391745
[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxy-1-oxohexan-3-yl]phosphonic acid
CID 174492611
4-methylpentane-1,2,3,3-tetrol
CID 139934593
phosphoric acid;(2R,3R)-2,3,4-trihydroxy-2-methylbutanal
CID 159198824
1,1-bis(phosphanyl)propane-1,2,3-triol
CID 87738313
(2R,3R,4R)-2,3,4,5-tetrahydroxy-2-methylpentanal
CID 18341048
(2R,3S,4S,5R)-3-azido-2,3,4,5,6-pentahydroxyhexanal
CID 152765716
(2,3,4-trihydroxy-1-oxobutan-2-yl) acetate
CID 141132329
(4S)-3,3,4,5-tetrahydroxypentan-2-one
CID 102208371

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-5-deuterio-3-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxypent-4-ynal?
The IUPAC name of (2R,3R)-5-deuterio-3-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxypent-4-ynal (CID 169098460) is (2R,3R)-5-deuterio-3-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxypent-4-ynal.
What is the SMILES notation for (2R,3R)-5-deuterio-3-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxypent-4-ynal?
The canonical SMILES for (2R,3R)-5-deuterio-3-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxypent-4-ynal is [2H]C#C[C@@](O)([C@H](O)CO)[C@@H](O)C=O.
What is the InChIKey of (2R,3R)-5-deuterio-3-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxypent-4-ynal?
The InChIKey is SKOFPLFAGZSYFM-IXVHPVLFSA-N. The full InChI is InChI=1S/C7H10O5/c1-2-7(12,5(10)3-8)6(11)4-9/h1,3,5-6,9-12H,4H2/t5-,6+,7-/m0/s1/i1D.
What are the key properties of (2R,3R)-5-deuterio-3-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxypent-4-ynal?
(2R,3R)-5-deuterio-3-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxypent-4-ynal has a molecular weight of 175.16 g/mol, XLogP of -2.74, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-5-deuterio-3-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxypent-4-ynal is sourced from PubChem (CID 169098460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).