(2R,3S)-4-phenyliminobutane-1,2,3-triol

C10H13NO3 — CID 98079118

IUPAC(2R,3S)-4-phenyliminobutane-1,2,3-triol
SMILESOC[C@@H](O)[C@@H](O)/C=N/c1ccccc1
InChIInChI=1S/C10H13NO3/c12-7-10(14)9(13)6-11-8-4-2-1-3-5-8/h1-6,9-10,12-14H,7H2/b11-6+/t9-,10+/m0/s1
InChIKeyCBNAFOPDRKRMGR-GAOAYCLHSA-N
MW195.22 g/mol
LogP0.10
Rot. Bonds4

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

(2R,3S)-4-phenyliminobutane-1,2,3-triol (PubChem CID 98079118) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (2R,3S)-4-phenyliminobutane-1,2,3-triol.

Molecular Properties

Compound Name(2R,3S)-4-phenyliminobutane-1,2,3-triol
PubChem CID98079118
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(2R,3S)-4-phenyliminobutane-1,2,3-triol
SMILESOC[C@@H](O)[C@@H](O)/C=N/c1ccccc1
InChIInChI=1S/C10H13NO3/c12-7-10(14)9(13)6-11-8-4-2-1-3-5-8/h1-6,9-10,12-14H,7H2/b11-6+/t9-,10+/m0/s1
InChIKeyCBNAFOPDRKRMGR-GAOAYCLHSA-N
XLogP0.10
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4E)-4-[benzyl(phenyl)hydrazinylidene]butane-1,2,3-triol
CID 98511351
2-chloro-N,N'-diphenylpropane-1,3-diimine;hydrochloride
CID 70596663
N,N',2-triphenylpropane-1,3-diimine
CID 54551513
(2S,3R,4S)-5-(2,3-dihydro-1H-inden-5-ylimino)pentane-1,2,3,4-tetrol
CID 124926163
(2R,3R,4R,5S)-6-(diphenylhydrazinylidene)hexane-1,2,3,4,5-pentol
CID 67783698
3-methyl-N-phenylbutan-1-imine
CID 14418149
(2S,3S)-pent-4-ene-1,2,3-triol
CID 641010
(2R,3R,4E,5Z)-4,5-bis(phenylhydrazinylidene)pentane-1,2,3-triol
CID 6409663
2-ethyl-N-phenylpentan-1-imine
CID 175125022
(E,2R,3R,4S)-6-phenylhex-5-ene-1,2,3,4-tetrol
CID 71511914
(2R,3R,4S,5E,6Z)-5,6-bis(phenylhydrazinylidene)hexane-1,2,3,4-tetrol
CID 7658673
(2R,3R)-1-phenylbutane-1,2,3,4-tetrol
CID 66722513

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-phenyliminobutane-1,2,3-triol?
The IUPAC name of (2R,3S)-4-phenyliminobutane-1,2,3-triol (CID 98079118) is (2R,3S)-4-phenyliminobutane-1,2,3-triol.
What is the SMILES notation for (2R,3S)-4-phenyliminobutane-1,2,3-triol?
The canonical SMILES for (2R,3S)-4-phenyliminobutane-1,2,3-triol is OC[C@@H](O)[C@@H](O)/C=N/c1ccccc1.
What is the InChIKey of (2R,3S)-4-phenyliminobutane-1,2,3-triol?
The InChIKey is CBNAFOPDRKRMGR-GAOAYCLHSA-N. The full InChI is InChI=1S/C10H13NO3/c12-7-10(14)9(13)6-11-8-4-2-1-3-5-8/h1-6,9-10,12-14H,7H2/b11-6+/t9-,10+/m0/s1.
What are the key properties of (2R,3S)-4-phenyliminobutane-1,2,3-triol?
(2R,3S)-4-phenyliminobutane-1,2,3-triol has a molecular weight of 195.22 g/mol, XLogP of 0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-phenyliminobutane-1,2,3-triol is sourced from PubChem (CID 98079118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).