(2R,3S)-pent-4-yne-1,2,3-triol

C5H8O3 — CID 131065464

IUPAC(2R,3S)-pent-4-yne-1,2,3-triol
SMILESC#C[C@H](O)[C@H](O)CO
InChIInChI=1S/C5H8O3/c1-2-4(7)5(8)3-6/h1,4-8H,3H2/t4-,5+/m0/s1
InChIKeyAGZXVIPOGMXNMM-CRCLSJGQSA-N
MW116.12 g/mol
LogP-1.67
Rot. Bonds2

About (2R,3S)-pent-4-yne-1,2,3-triol

(2R,3S)-pent-4-yne-1,2,3-triol (PubChem CID 131065464) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is (2R,3S)-pent-4-yne-1,2,3-triol.

Molecular Properties

Compound Name(2R,3S)-pent-4-yne-1,2,3-triol
PubChem CID131065464
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name(2R,3S)-pent-4-yne-1,2,3-triol
SMILESC#C[C@H](O)[C@H](O)CO
InChIInChI=1S/C5H8O3/c1-2-4(7)5(8)3-6/h1,4-8H,3H2/t4-,5+/m0/s1
InChIKeyAGZXVIPOGMXNMM-CRCLSJGQSA-N
XLogP-1.67
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-2-aminopent-4-yne-1,3-diol
CID 146631040
(2R,3R)-2,3,4-trihydroxybutanenitrile
CID 130677506
(2R,3R)-hept-6-yne-1,2,3-triol
CID 10877233
1-phenylpent-4-yne-2,3-diol
CID 54350652
(2S,4S)-pentane-1,2,3,4,5-pentol
CID 139064085
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
5-(3-hydroxypropyl)heptane-1,1,6,7-tetrol
CID 91301231
4-methylhex-1-yn-3-ol
CID 64914374
pentane-1,2,3,4,5-pentol;dihydrochloride
CID 175842943
butane-1,2,3,4-tetrol;phosphorous acid
CID 139511321

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-pent-4-yne-1,2,3-triol?
The IUPAC name of (2R,3S)-pent-4-yne-1,2,3-triol (CID 131065464) is (2R,3S)-pent-4-yne-1,2,3-triol.
What is the SMILES notation for (2R,3S)-pent-4-yne-1,2,3-triol?
The canonical SMILES for (2R,3S)-pent-4-yne-1,2,3-triol is C#C[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S)-pent-4-yne-1,2,3-triol?
The InChIKey is AGZXVIPOGMXNMM-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H8O3/c1-2-4(7)5(8)3-6/h1,4-8H,3H2/t4-,5+/m0/s1.
What are the key properties of (2R,3S)-pent-4-yne-1,2,3-triol?
(2R,3S)-pent-4-yne-1,2,3-triol has a molecular weight of 116.12 g/mol, XLogP of -1.67, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-pent-4-yne-1,2,3-triol is sourced from PubChem (CID 131065464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).