[(2S,4R)-3,3-difluoro-2,4-dihydroxy-5-phenylmethoxypentyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate

C34H45F2NO6Si — CID 10930211

IUPAC[(2S,4R)-3,3-difluoro-2,4-dihydroxy-5-phenylmethoxypentyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC[C@H](O)C(F)(F)[C@H](O)COCc1ccccc1
InChIInChI=1S/C34H45F2NO6Si/c1-26(2)37(32(40)42-25-31(39)34(35,36)30(38)24-41-23-27-15-9-6-10-16-27)21-22-43-44(33(3,4)5,28-17-11-7-12-18-28)29-19-13-8-14-20-29/h6-20,26,30-31,38-39H,21-25H2,1-5H3/t30-,31+/m1/s1
InChIKeyKQUSPKUZDNOJAL-JSOSNVBQSA-N
MW629.82 g/mol
LogP4.98
Rot. Bonds15

About [(2S,4R)-3,3-difluoro-2,4-dihydroxy-5-phenylmethoxypentyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate

[(2S,4R)-3,3-difluoro-2,4-dihydroxy-5-phenylmethoxypentyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate (PubChem CID 10930211) has the molecular formula C34H45F2NO6Si and a molecular weight of 629.82 g/mol. Its IUPAC name is [(2S,4R)-3,3-difluoro-2,4-dihydroxy-5-phenylmethoxypentyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(2S,4R)-3,3-difluoro-2,4-dihydroxy-5-phenylmethoxypentyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate
PubChem CID10930211
Molecular FormulaC34H45F2NO6Si
Molecular Weight629.82 g/mol
Exact Mass629.30
IUPAC Name[(2S,4R)-3,3-difluoro-2,4-dihydroxy-5-phenylmethoxypentyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC[C@H](O)C(F)(F)[C@H](O)COCc1ccccc1
InChIInChI=1S/C34H45F2NO6Si/c1-26(2)37(32(40)42-25-31(39)34(35,36)30(38)24-41-23-27-15-9-6-10-16-27)21-22-43-44(33(3,4)5,28-17-11-7-12-18-28)29-19-13-8-14-20-29/h6-20,26,30-31,38-39H,21-25H2,1-5H3/t30-,31+/m1/s1
InChIKeyKQUSPKUZDNOJAL-JSOSNVBQSA-N
XLogP4.98
TPSA88.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500629.82
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-3,3-difluoro-2,4-dihydroxy-5-phenylmethoxypentyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate?
The IUPAC name of [(2S,4R)-3,3-difluoro-2,4-dihydroxy-5-phenylmethoxypentyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate (CID 10930211) is [(2S,4R)-3,3-difluoro-2,4-dihydroxy-5-phenylmethoxypentyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for [(2S,4R)-3,3-difluoro-2,4-dihydroxy-5-phenylmethoxypentyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate?
The canonical SMILES for [(2S,4R)-3,3-difluoro-2,4-dihydroxy-5-phenylmethoxypentyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate is CC(C)N(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC[C@H](O)C(F)(F)[C@H](O)COCc1ccccc1.
What is the InChIKey of [(2S,4R)-3,3-difluoro-2,4-dihydroxy-5-phenylmethoxypentyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate?
The InChIKey is KQUSPKUZDNOJAL-JSOSNVBQSA-N. The full InChI is InChI=1S/C34H45F2NO6Si/c1-26(2)37(32(40)42-25-31(39)34(35,36)30(38)24-41-23-27-15-9-6-10-16-27)21-22-43-44(33(3,4)5,28-17-11-7-12-18-28)29-19-13-8-14-20-29/h6-20,26,30-31,38-39H,21-25H2,1-5H3/t30-,31+/m1/s1.
What are the key properties of [(2S,4R)-3,3-difluoro-2,4-dihydroxy-5-phenylmethoxypentyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate?
[(2S,4R)-3,3-difluoro-2,4-dihydroxy-5-phenylmethoxypentyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate has a molecular weight of 629.82 g/mol, XLogP of 4.98, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-3,3-difluoro-2,4-dihydroxy-5-phenylmethoxypentyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 10930211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).