(3R,4R,5R)-5-[benzyl-[(1R)-1-phenylethyl]amino]-4-phenylmethoxy-6-tri(propan-2-yl)silyloxyhex-1-en-3-ol

C37H53NO3Si — CID 71681121

IUPAC(3R,4R,5R)-5-[benzyl-[(1R)-1-phenylethyl]amino]-4-phenylmethoxy-6-tri(propan-2-yl)silyloxyhex-1-en-3-ol
SMILESC=C[C@@H](O)[C@H](OCc1ccccc1)[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)N(Cc1ccccc1)[C@H](C)c1ccccc1
InChIInChI=1S/C37H53NO3Si/c1-9-36(39)37(40-26-33-21-15-11-16-22-33)35(27-41-42(28(2)3,29(4)5)30(6)7)38(25-32-19-13-10-14-20-32)31(8)34-23-17-12-18-24-34/h9-24,28-31,35-37,39H,1,25-27H2,2-8H3/t31-,35-,36-,37-/m1/s1
InChIKeyFKRQNOGLAGKPFA-MCNAWRSPSA-N
MW587.92 g/mol
LogP8.94
Rot. Bonds17

About (3R,4R,5R)-5-[benzyl-[(1R)-1-phenylethyl]amino]-4-phenylmethoxy-6-tri(propan-2-yl)silyloxyhex-1-en-3-ol

(3R,4R,5R)-5-[benzyl-[(1R)-1-phenylethyl]amino]-4-phenylmethoxy-6-tri(propan-2-yl)silyloxyhex-1-en-3-ol (PubChem CID 71681121) has the molecular formula C37H53NO3Si and a molecular weight of 587.92 g/mol. Its IUPAC name is (3R,4R,5R)-5-[benzyl-[(1R)-1-phenylethyl]amino]-4-phenylmethoxy-6-tri(propan-2-yl)silyloxyhex-1-en-3-ol.

Molecular Properties

Compound Name(3R,4R,5R)-5-[benzyl-[(1R)-1-phenylethyl]amino]-4-phenylmethoxy-6-tri(propan-2-yl)silyloxyhex-1-en-3-ol
PubChem CID71681121
Molecular FormulaC37H53NO3Si
Molecular Weight587.92 g/mol
Exact Mass587.38
IUPAC Name(3R,4R,5R)-5-[benzyl-[(1R)-1-phenylethyl]amino]-4-phenylmethoxy-6-tri(propan-2-yl)silyloxyhex-1-en-3-ol
SMILESC=C[C@@H](O)[C@H](OCc1ccccc1)[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)N(Cc1ccccc1)[C@H](C)c1ccccc1
InChIInChI=1S/C37H53NO3Si/c1-9-36(39)37(40-26-33-21-15-11-16-22-33)35(27-41-42(28(2)3,29(4)5)30(6)7)38(25-32-19-13-10-14-20-32)31(8)34-23-17-12-18-24-34/h9-24,28-31,35-37,39H,1,25-27H2,2-8H3/t31-,35-,36-,37-/m1/s1
InChIKeyFKRQNOGLAGKPFA-MCNAWRSPSA-N
XLogP8.94
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.92
LogP ≤ 58.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

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CID 59435867
(2S,3R,4S)-4-benzyl-2-phenylmethoxyhex-5-en-3-ol
CID 121344680
(2S,3R)-3-phenylmethoxypent-4-en-2-ol
CID 73332888
benzyl (3R)-3-[benzyl-[(1S)-1-phenylethyl]amino]-3-[4-tri(propan-2-yl)silyloxyphenyl]propanoate
CID 134836354
(3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyoct-1-en-3-ol
CID 46910423
[(2R,3R)-4-hydroxy-1,3-bis(phenylmethoxy)hex-5-en-2-yl] acetate
CID 101392493
2-[(1R)-1-[benzyl-[(1S)-1-phenylethyl]amino]-3-phenylprop-2-enyl]phenol
CID 91271714
(E,2R,3R,6S,7S,8R,9S,10S)-11-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-2,6,8,10-tetramethyl-9-phenylmethoxy-1-tri(propan-2-yl)silyloxyundec-4-en-3-ol
CID 53494607
(E,3S)-3-[benzyl-[(1S)-1-phenylethyl]amino]-2-hydroxyhex-4-enoic acid
CID 72949507
(2S,3R,4R)-4-phenylmethoxyhex-5-ene-2,3-diol
CID 46855133
(2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]propanal
CID 101191721

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-5-[benzyl-[(1R)-1-phenylethyl]amino]-4-phenylmethoxy-6-tri(propan-2-yl)silyloxyhex-1-en-3-ol?
The IUPAC name of (3R,4R,5R)-5-[benzyl-[(1R)-1-phenylethyl]amino]-4-phenylmethoxy-6-tri(propan-2-yl)silyloxyhex-1-en-3-ol (CID 71681121) is (3R,4R,5R)-5-[benzyl-[(1R)-1-phenylethyl]amino]-4-phenylmethoxy-6-tri(propan-2-yl)silyloxyhex-1-en-3-ol.
What is the SMILES notation for (3R,4R,5R)-5-[benzyl-[(1R)-1-phenylethyl]amino]-4-phenylmethoxy-6-tri(propan-2-yl)silyloxyhex-1-en-3-ol?
The canonical SMILES for (3R,4R,5R)-5-[benzyl-[(1R)-1-phenylethyl]amino]-4-phenylmethoxy-6-tri(propan-2-yl)silyloxyhex-1-en-3-ol is C=C[C@@H](O)[C@H](OCc1ccccc1)[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)N(Cc1ccccc1)[C@H](C)c1ccccc1.
What is the InChIKey of (3R,4R,5R)-5-[benzyl-[(1R)-1-phenylethyl]amino]-4-phenylmethoxy-6-tri(propan-2-yl)silyloxyhex-1-en-3-ol?
The InChIKey is FKRQNOGLAGKPFA-MCNAWRSPSA-N. The full InChI is InChI=1S/C37H53NO3Si/c1-9-36(39)37(40-26-33-21-15-11-16-22-33)35(27-41-42(28(2)3,29(4)5)30(6)7)38(25-32-19-13-10-14-20-32)31(8)34-23-17-12-18-24-34/h9-24,28-31,35-37,39H,1,25-27H2,2-8H3/t31-,35-,36-,37-/m1/s1.
What are the key properties of (3R,4R,5R)-5-[benzyl-[(1R)-1-phenylethyl]amino]-4-phenylmethoxy-6-tri(propan-2-yl)silyloxyhex-1-en-3-ol?
(3R,4R,5R)-5-[benzyl-[(1R)-1-phenylethyl]amino]-4-phenylmethoxy-6-tri(propan-2-yl)silyloxyhex-1-en-3-ol has a molecular weight of 587.92 g/mol, XLogP of 8.94, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-5-[benzyl-[(1R)-1-phenylethyl]amino]-4-phenylmethoxy-6-tri(propan-2-yl)silyloxyhex-1-en-3-ol is sourced from PubChem (CID 71681121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).