(1R,2R)-1-tributylstannyl-2-(tritylamino)propan-1-ol

C34H49NOSn — CID 134884047

IUPAC(1R,2R)-1-tributylstannyl-2-(tritylamino)propan-1-ol
SMILESCCCC[Sn](CCCC)(CCCC)[C@@H](O)[C@@H](C)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22NO.3C4H9.Sn/c1-18(17-24)23-22(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;3*1-3-4-2;/h2-18,23-24H,1H3;3*1,3-4H2,2H3;/t18-;;;;/m1..../s1
InChIKeyUORHFVIRHCRXJV-HHVPYRKWSA-N
MW606.48 g/mol
LogP8.71
Rot. Bonds16

About (1R,2R)-1-tributylstannyl-2-(tritylamino)propan-1-ol

(1R,2R)-1-tributylstannyl-2-(tritylamino)propan-1-ol (PubChem CID 134884047) has the molecular formula C34H49NOSn and a molecular weight of 606.48 g/mol. Its IUPAC name is (1R,2R)-1-tributylstannyl-2-(tritylamino)propan-1-ol.

Molecular Properties

Compound Name(1R,2R)-1-tributylstannyl-2-(tritylamino)propan-1-ol
PubChem CID134884047
Molecular FormulaC34H49NOSn
Molecular Weight606.48 g/mol
Exact Mass607.28
IUPAC Name(1R,2R)-1-tributylstannyl-2-(tritylamino)propan-1-ol
SMILESCCCC[Sn](CCCC)(CCCC)[C@@H](O)[C@@H](C)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22NO.3C4H9.Sn/c1-18(17-24)23-22(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;3*1-3-4-2;/h2-18,23-24H,1H3;3*1,3-4H2,2H3;/t18-;;;;/m1..../s1
InChIKeyUORHFVIRHCRXJV-HHVPYRKWSA-N
XLogP8.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.48
LogP ≤ 58.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-[butyl(methyl)amino]-2-(tritylamino)propan-1-ol
CID 125451380
(3R,4R)-2,3-dimethyl-4-phenyl-4-tributylstannylbutan-2-ol
CID 134889352
2-(tritylamino)pentanoic acid
CID 70010724
N-[(2R,3R)-3-methylheptan-2-yl]aniline
CID 10646032
N-tritylpentanamide
CID 71163215
2,9-dimethyl-N-trityldecan-5-amine
CID 67451317
(3R)-1-[diethoxymethyl(ethoxy)phosphoryl]-3-(tritylamino)butan-2-ol
CID 10007060
2-phenylmethoxy-1-tributylstannylethanol
CID 10551127
1-(tritylamino)ethylphosphonic acid
CID 150279074
(2R)-3-methyl-2-(tritylamino)butanoic acid
CID 40522874
diethylazanium;(2S,3R)-3-hydroxy-2-(tritylamino)butanoate
CID 71741751
tert-butylbenzene;hexane
CID 175254424

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-tributylstannyl-2-(tritylamino)propan-1-ol?
The IUPAC name of (1R,2R)-1-tributylstannyl-2-(tritylamino)propan-1-ol (CID 134884047) is (1R,2R)-1-tributylstannyl-2-(tritylamino)propan-1-ol.
What is the SMILES notation for (1R,2R)-1-tributylstannyl-2-(tritylamino)propan-1-ol?
The canonical SMILES for (1R,2R)-1-tributylstannyl-2-(tritylamino)propan-1-ol is CCCC[Sn](CCCC)(CCCC)[C@@H](O)[C@@H](C)NC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R,2R)-1-tributylstannyl-2-(tritylamino)propan-1-ol?
The InChIKey is UORHFVIRHCRXJV-HHVPYRKWSA-N. The full InChI is InChI=1S/C22H22NO.3C4H9.Sn/c1-18(17-24)23-22(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;3*1-3-4-2;/h2-18,23-24H,1H3;3*1,3-4H2,2H3;/t18-;;;;/m1..../s1.
What are the key properties of (1R,2R)-1-tributylstannyl-2-(tritylamino)propan-1-ol?
(1R,2R)-1-tributylstannyl-2-(tritylamino)propan-1-ol has a molecular weight of 606.48 g/mol, XLogP of 8.71, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-tributylstannyl-2-(tritylamino)propan-1-ol is sourced from PubChem (CID 134884047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).