(2R,3R)-2,3,4-trihydroxybutanenitrile

C4H7NO3 — CID 130677506

IUPAC(2R,3R)-2,3,4-trihydroxybutanenitrile
SMILESN#C[C@@H](O)[C@H](O)CO
InChIInChI=1S/C4H7NO3/c5-1-3(7)4(8)2-6/h3-4,6-8H,2H2/t3-,4-/m1/s1
InChIKeyYDXGXFDEPLKGAQ-QWWZWVQMSA-N
MW117.10 g/mol
LogP-1.78
Rot. Bonds2

About (2R,3R)-2,3,4-trihydroxybutanenitrile

(2R,3R)-2,3,4-trihydroxybutanenitrile (PubChem CID 130677506) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is (2R,3R)-2,3,4-trihydroxybutanenitrile.

Molecular Properties

Compound Name(2R,3R)-2,3,4-trihydroxybutanenitrile
PubChem CID130677506
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name(2R,3R)-2,3,4-trihydroxybutanenitrile
SMILESN#C[C@@H](O)[C@H](O)CO
InChIInChI=1S/C4H7NO3/c5-1-3(7)4(8)2-6/h3-4,6-8H,2H2/t3-,4-/m1/s1
InChIKeyYDXGXFDEPLKGAQ-QWWZWVQMSA-N
XLogP-1.78
TPSA84.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 5-1.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanenitrile
CID 140521015
(2R,3S,4R,5R)-2,3,4,5,6,7-hexahydroxyheptanenitrile
CID 88610400
(2S,3S)-2,3-dihydroxybutanedinitrile
CID 102473790
(2R,3S)-pent-4-yne-1,2,3-triol
CID 131065464
(2R,3R,4S,5R)-2-(15N)azanyl-3,4,5,6-tetrahydroxy(113C)hexanenitrile
CID 11593529
alumane;(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;hydrate
CID 173000212
(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
(2S,4S)-pentane-1,2,3,4,5-pentol
CID 139064085
(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
calcium;hexane-1,2,3,4,5,6-hexol;dichloride;dihydrate
CID 175024870
1-chloropropane-1,2,3-triol;hydrate
CID 141440850

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3,4-trihydroxybutanenitrile?
The IUPAC name of (2R,3R)-2,3,4-trihydroxybutanenitrile (CID 130677506) is (2R,3R)-2,3,4-trihydroxybutanenitrile.
What is the SMILES notation for (2R,3R)-2,3,4-trihydroxybutanenitrile?
The canonical SMILES for (2R,3R)-2,3,4-trihydroxybutanenitrile is N#C[C@@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R)-2,3,4-trihydroxybutanenitrile?
The InChIKey is YDXGXFDEPLKGAQ-QWWZWVQMSA-N. The full InChI is InChI=1S/C4H7NO3/c5-1-3(7)4(8)2-6/h3-4,6-8H,2H2/t3-,4-/m1/s1.
What are the key properties of (2R,3R)-2,3,4-trihydroxybutanenitrile?
(2R,3R)-2,3,4-trihydroxybutanenitrile has a molecular weight of 117.10 g/mol, XLogP of -1.78, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3,4-trihydroxybutanenitrile is sourced from PubChem (CID 130677506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).