(2R,3R,4S,5S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-N,N,2,4,6-pentamethylheptanamide

C28H43NO4Si — CID 71608493

IUPAC(2R,3R,4S,5S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-N,N,2,4,6-pentamethylheptanamide
SMILESC[C@@H]([C@@H](O)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](O)[C@@H](C)C(=O)N(C)C
InChIInChI=1S/C28H43NO4Si/c1-20(25(30)21(2)26(31)22(3)27(32)29(7)8)19-33-34(28(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,20-22,25-26,30-31H,19H2,1-8H3/t20-,21-,22+,25-,26+/m0/s1
InChIKeyNPSALSVQBKDTGR-VXOZGMPSSA-N
MW485.74 g/mol
LogP3.28
Rot. Bonds10

About (2R,3R,4S,5S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-N,N,2,4,6-pentamethylheptanamide

(2R,3R,4S,5S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-N,N,2,4,6-pentamethylheptanamide (PubChem CID 71608493) has the molecular formula C28H43NO4Si and a molecular weight of 485.74 g/mol. Its IUPAC name is (2R,3R,4S,5S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-N,N,2,4,6-pentamethylheptanamide.

Molecular Properties

Compound Name(2R,3R,4S,5S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-N,N,2,4,6-pentamethylheptanamide
PubChem CID71608493
Molecular FormulaC28H43NO4Si
Molecular Weight485.74 g/mol
Exact Mass485.30
IUPAC Name(2R,3R,4S,5S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-N,N,2,4,6-pentamethylheptanamide
SMILESC[C@@H]([C@@H](O)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](O)[C@@H](C)C(=O)N(C)C
InChIInChI=1S/C28H43NO4Si/c1-20(25(30)21(2)26(31)22(3)27(32)29(7)8)19-33-34(28(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,20-22,25-26,30-31H,19H2,1-8H3/t20-,21-,22+,25-,26+/m0/s1
InChIKeyNPSALSVQBKDTGR-VXOZGMPSSA-N
XLogP3.28
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.74
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (2R,3R,4S,5S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-N,N,2,4,6-pentamethylheptanamide?
The IUPAC name of (2R,3R,4S,5S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-N,N,2,4,6-pentamethylheptanamide (CID 71608493) is (2R,3R,4S,5S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-N,N,2,4,6-pentamethylheptanamide.
What is the SMILES notation for (2R,3R,4S,5S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-N,N,2,4,6-pentamethylheptanamide?
The canonical SMILES for (2R,3R,4S,5S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-N,N,2,4,6-pentamethylheptanamide is C[C@@H]([C@@H](O)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](O)[C@@H](C)C(=O)N(C)C.
What is the InChIKey of (2R,3R,4S,5S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-N,N,2,4,6-pentamethylheptanamide?
The InChIKey is NPSALSVQBKDTGR-VXOZGMPSSA-N. The full InChI is InChI=1S/C28H43NO4Si/c1-20(25(30)21(2)26(31)22(3)27(32)29(7)8)19-33-34(28(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,20-22,25-26,30-31H,19H2,1-8H3/t20-,21-,22+,25-,26+/m0/s1.
What are the key properties of (2R,3R,4S,5S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-N,N,2,4,6-pentamethylheptanamide?
(2R,3R,4S,5S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-N,N,2,4,6-pentamethylheptanamide has a molecular weight of 485.74 g/mol, XLogP of 3.28, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-N,N,2,4,6-pentamethylheptanamide is sourced from PubChem (CID 71608493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).