(2S)-4-amino-1-trityloxybutan-2-ol

C23H25NO2 — CID 11393893

IUPAC(2S)-4-amino-1-trityloxybutan-2-ol
SMILESNCC[C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25NO2/c24-17-16-22(25)18-26-23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22,25H,16-18,24H2/t22-/m0/s1
InChIKeyQVFZJZGUTJGLGU-QFIPXVFZSA-N
MW347.46 g/mol
LogP3.70
Rot. Bonds8

About (2S)-4-amino-1-trityloxybutan-2-ol

(2S)-4-amino-1-trityloxybutan-2-ol (PubChem CID 11393893) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (2S)-4-amino-1-trityloxybutan-2-ol.

Molecular Properties

Compound Name(2S)-4-amino-1-trityloxybutan-2-ol
PubChem CID11393893
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name(2S)-4-amino-1-trityloxybutan-2-ol
SMILESNCC[C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25NO2/c24-17-16-22(25)18-26-23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22,25H,16-18,24H2/t22-/m0/s1
InChIKeyQVFZJZGUTJGLGU-QFIPXVFZSA-N
XLogP3.70
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-trityloxybutane-1,3-diol
CID 14027583
1,4-ditrityloxybutan-2-ol
CID 13443283
1-trityloxyoctadecan-2-ol
CID 10436974
(2R)-1-amino-4-trityloxybutan-2-ol
CID 69243121
1,5-ditrityloxypentan-3-ol
CID 140507927
(2S)-1-phenylmethoxy-3-trityloxypropan-2-ol
CID 11582634
1-prop-2-enoxy-3-trityloxypropan-2-ol
CID 3540668
trityloxymethanamine
CID 59526425
methyl (2S)-2-hydroxy-3-trityloxypropanoate
CID 11760225
(5S)-5-hydroxy-3-oxo-6-trityloxyhexanoate
CID 18642974
(2S,3S,4S,5R)-6-trityloxyhexane-1,2,3,4,5-pentol
CID 11761668
(3S)-1-trityloxypentan-3-ol
CID 11163798

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-1-trityloxybutan-2-ol?
The IUPAC name of (2S)-4-amino-1-trityloxybutan-2-ol (CID 11393893) is (2S)-4-amino-1-trityloxybutan-2-ol.
What is the SMILES notation for (2S)-4-amino-1-trityloxybutan-2-ol?
The canonical SMILES for (2S)-4-amino-1-trityloxybutan-2-ol is NCC[C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-4-amino-1-trityloxybutan-2-ol?
The InChIKey is QVFZJZGUTJGLGU-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H25NO2/c24-17-16-22(25)18-26-23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22,25H,16-18,24H2/t22-/m0/s1.
What are the key properties of (2S)-4-amino-1-trityloxybutan-2-ol?
(2S)-4-amino-1-trityloxybutan-2-ol has a molecular weight of 347.46 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-1-trityloxybutan-2-ol is sourced from PubChem (CID 11393893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).