(2R,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1,3,4-tris[(4-methoxyphenyl)methoxy]pentan-2-amine

C35H51NO7Si — CID 11828294

IUPAC(2R,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1,3,4-tris[(4-methoxyphenyl)methoxy]pentan-2-amine
SMILESCOc1ccc(COC[C@@H](N)[C@@H](OCc2ccc(OC)cc2)[C@@H](CO[Si](C)(C)C(C)(C)C)OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C35H51NO7Si/c1-35(2,3)44(7,8)43-25-33(41-22-27-11-17-30(38-5)18-12-27)34(42-23-28-13-19-31(39-6)20-14-28)32(36)24-40-21-26-9-15-29(37-4)16-10-26/h9-20,32-34H,21-25,36H2,1-8H3/t32-,33-,34-/m1/s1
InChIKeyGUHPKBDMPBGUDE-CKOYEXALSA-N
MW625.88 g/mol
LogP6.75
Rot. Bonds18

About (2R,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1,3,4-tris[(4-methoxyphenyl)methoxy]pentan-2-amine

(2R,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1,3,4-tris[(4-methoxyphenyl)methoxy]pentan-2-amine (PubChem CID 11828294) has the molecular formula C35H51NO7Si and a molecular weight of 625.88 g/mol. Its IUPAC name is (2R,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1,3,4-tris[(4-methoxyphenyl)methoxy]pentan-2-amine.

Molecular Properties

Compound Name(2R,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1,3,4-tris[(4-methoxyphenyl)methoxy]pentan-2-amine
PubChem CID11828294
Molecular FormulaC35H51NO7Si
Molecular Weight625.88 g/mol
Exact Mass625.34
IUPAC Name(2R,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1,3,4-tris[(4-methoxyphenyl)methoxy]pentan-2-amine
SMILESCOc1ccc(COC[C@@H](N)[C@@H](OCc2ccc(OC)cc2)[C@@H](CO[Si](C)(C)C(C)(C)C)OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C35H51NO7Si/c1-35(2,3)44(7,8)43-25-33(41-22-27-11-17-30(38-5)18-12-27)34(42-23-28-13-19-31(39-6)20-14-28)32(36)24-40-21-26-9-15-29(37-4)16-10-26/h9-20,32-34H,21-25,36H2,1-8H3/t32-,33-,34-/m1/s1
InChIKeyGUHPKBDMPBGUDE-CKOYEXALSA-N
XLogP6.75
TPSA90.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.88
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2R,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1,3,4-tris[(4-methoxyphenyl)methoxy]pentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-[(2S,3S,4S)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethylhex-5-enoxy]-dimethylsilane
CID 67148866
tert-butyl-[(2R,3S,4S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylheptan-3-yl]oxy-dimethylsilane
CID 16754070
1-methoxy-4-[[(2R,3R,4R,5R)-4-[(4-methoxyphenyl)methoxy]-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-yl]oxymethyl]benzene
CID 10985612
(3R,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-2-one
CID 52920734
4-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butan-1-ol
CID 72970803
(2S,3S,4S)-4-azido-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-3-phenylmethoxypentan-2-ol
CID 102160249
(E,5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]hept-2-ene-1,6-diol
CID 11761109
(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-4-methylpent-3-en-2-ol
CID 25257485
(E,2S,3R,6R)-1-[tert-butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylhept-4-en-3-ol
CID 14526006
(E,2R,3S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methoxy]-2,5-dimethylhex-4-en-3-ol
CID 134841574
tert-butyl-[(1R)-2-[(4-methoxyphenyl)methoxy]-1-[(2R)-oxiran-2-yl]ethoxy]-dimethylsilane
CID 11393604
tert-butyl-[(2S,3S,4S)-3-[(4-methoxyphenyl)methoxy]-4-methylhex-5-yn-2-yl]oxy-dimethylsilane
CID 15814219

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1,3,4-tris[(4-methoxyphenyl)methoxy]pentan-2-amine?
The IUPAC name of (2R,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1,3,4-tris[(4-methoxyphenyl)methoxy]pentan-2-amine (CID 11828294) is (2R,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1,3,4-tris[(4-methoxyphenyl)methoxy]pentan-2-amine.
What is the SMILES notation for (2R,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1,3,4-tris[(4-methoxyphenyl)methoxy]pentan-2-amine?
The canonical SMILES for (2R,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1,3,4-tris[(4-methoxyphenyl)methoxy]pentan-2-amine is COc1ccc(COC[C@@H](N)[C@@H](OCc2ccc(OC)cc2)[C@@H](CO[Si](C)(C)C(C)(C)C)OCc2ccc(OC)cc2)cc1.
What is the InChIKey of (2R,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1,3,4-tris[(4-methoxyphenyl)methoxy]pentan-2-amine?
The InChIKey is GUHPKBDMPBGUDE-CKOYEXALSA-N. The full InChI is InChI=1S/C35H51NO7Si/c1-35(2,3)44(7,8)43-25-33(41-22-27-11-17-30(38-5)18-12-27)34(42-23-28-13-19-31(39-6)20-14-28)32(36)24-40-21-26-9-15-29(37-4)16-10-26/h9-20,32-34H,21-25,36H2,1-8H3/t32-,33-,34-/m1/s1.
What are the key properties of (2R,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1,3,4-tris[(4-methoxyphenyl)methoxy]pentan-2-amine?
(2R,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1,3,4-tris[(4-methoxyphenyl)methoxy]pentan-2-amine has a molecular weight of 625.88 g/mol, XLogP of 6.75, 18 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1,3,4-tris[(4-methoxyphenyl)methoxy]pentan-2-amine is sourced from PubChem (CID 11828294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).