(3S,6S,7R,12S,15R,18S,21S,22R)-15-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-7,9,9,22,24,24-hexamethyl-3,12,18-tri(propan-2-yl)-8,23-dioxa-1,4,10,13,16,19-hexazatricyclo[19.3.0.06,10]tetracosane-2,5,11,14,17,20-hexone

C39H70N6O9Si — CID 11274357

IUPAC(3S,6S,7R,12S,15R,18S,21S,22R)-15-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-7,9,9,22,24,24-hexamethyl-3,12,18-tri(propan-2-yl)-8,23-dioxa-1,4,10,13,16,19-hexazatricyclo[19.3.0.06,10]tetracosane-2,5,11,14,17,20-hexone
SMILESCC(C)[C@@H]1NC(=O)[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)[C@H](C(C)C)NC(=O)[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)[C@H](C(C)C)NC(=O)[C@@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)NC1=O
InChIInChI=1S/C39H70N6O9Si/c1-19(2)25-31(46)43-28(22(7)54-55(17,18)37(10,11)12)32(47)41-26(20(3)4)35(50)45-30(24(9)53-39(45,15)16)34(49)42-27(21(5)6)36(51)44-29(33(48)40-25)23(8)52-38(44,13)14/h19-30H,1-18H3,(H,40,48)(H,41,47)(H,42,49)(H,43,46)/t22-,23-,24-,25+,26+,27+,28-,29+,30+/m1/s1
InChIKeyFQVVDLFDQAEZIZ-SSUWPBJSSA-N
MW795.11 g/mol
LogP3.02
Rot. Bonds6

About (3S,6S,7R,12S,15R,18S,21S,22R)-15-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-7,9,9,22,24,24-hexamethyl-3,12,18-tri(propan-2-yl)-8,23-dioxa-1,4,10,13,16,19-hexazatricyclo[19.3.0.06,10]tetracosane-2,5,11,14,17,20-hexone

(3S,6S,7R,12S,15R,18S,21S,22R)-15-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-7,9,9,22,24,24-hexamethyl-3,12,18-tri(propan-2-yl)-8,23-dioxa-1,4,10,13,16,19-hexazatricyclo[19.3.0.06,10]tetracosane-2,5,11,14,17,20-hexone (PubChem CID 11274357) has the molecular formula C39H70N6O9Si and a molecular weight of 795.11 g/mol. Its IUPAC name is (3S,6S,7R,12S,15R,18S,21S,22R)-15-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-7,9,9,22,24,24-hexamethyl-3,12,18-tri(propan-2-yl)-8,23-dioxa-1,4,10,13,16,19-hexazatricyclo[19.3.0.06,10]tetracosane-2,5,11,14,17,20-hexone.

Molecular Properties

Compound Name(3S,6S,7R,12S,15R,18S,21S,22R)-15-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-7,9,9,22,24,24-hexamethyl-3,12,18-tri(propan-2-yl)-8,23-dioxa-1,4,10,13,16,19-hexazatricyclo[19.3.0.06,10]tetracosane-2,5,11,14,17,20-hexone
PubChem CID11274357
Molecular FormulaC39H70N6O9Si
Molecular Weight795.11 g/mol
Exact Mass794.50
IUPAC Name(3S,6S,7R,12S,15R,18S,21S,22R)-15-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-7,9,9,22,24,24-hexamethyl-3,12,18-tri(propan-2-yl)-8,23-dioxa-1,4,10,13,16,19-hexazatricyclo[19.3.0.06,10]tetracosane-2,5,11,14,17,20-hexone
SMILESCC(C)[C@@H]1NC(=O)[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)[C@H](C(C)C)NC(=O)[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)[C@H](C(C)C)NC(=O)[C@@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)NC1=O
InChIInChI=1S/C39H70N6O9Si/c1-19(2)25-31(46)43-28(22(7)54-55(17,18)37(10,11)12)32(47)41-26(20(3)4)35(50)45-30(24(9)53-39(45,15)16)34(49)42-27(21(5)6)36(51)44-29(33(48)40-25)23(8)52-38(44,13)14/h19-30H,1-18H3,(H,40,48)(H,41,47)(H,42,49)(H,43,46)/t22-,23-,24-,25+,26+,27+,28-,29+,30+/m1/s1
InChIKeyFQVVDLFDQAEZIZ-SSUWPBJSSA-N
XLogP3.02
TPSA184.71 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500795.11
LogP ≤ 53.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (3S,6S,7R,12S,15R,18S,21S,22R)-15-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-7,9,9,22,24,24-hexamethyl-3,12,18-tri(propan-2-yl)-8,23-dioxa-1,4,10,13,16,19-hexazatricyclo[19.3.0.06,10]tetracosane-2,5,11,14,17,20-hexone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,6S,7R,12S,15R,18S,21S,22R)-15-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-7,9,9,22,24,24-hexamethyl-3,12,18-tri(propan-2-yl)-8,23-dioxa-1,4,10,13,16,19-hexazatricyclo[19.3.0.06,10]tetracosane-2,5,11,14,17,20-hexone?
The IUPAC name of (3S,6S,7R,12S,15R,18S,21S,22R)-15-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-7,9,9,22,24,24-hexamethyl-3,12,18-tri(propan-2-yl)-8,23-dioxa-1,4,10,13,16,19-hexazatricyclo[19.3.0.06,10]tetracosane-2,5,11,14,17,20-hexone (CID 11274357) is (3S,6S,7R,12S,15R,18S,21S,22R)-15-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-7,9,9,22,24,24-hexamethyl-3,12,18-tri(propan-2-yl)-8,23-dioxa-1,4,10,13,16,19-hexazatricyclo[19.3.0.06,10]tetracosane-2,5,11,14,17,20-hexone.
What is the SMILES notation for (3S,6S,7R,12S,15R,18S,21S,22R)-15-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-7,9,9,22,24,24-hexamethyl-3,12,18-tri(propan-2-yl)-8,23-dioxa-1,4,10,13,16,19-hexazatricyclo[19.3.0.06,10]tetracosane-2,5,11,14,17,20-hexone?
The canonical SMILES for (3S,6S,7R,12S,15R,18S,21S,22R)-15-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-7,9,9,22,24,24-hexamethyl-3,12,18-tri(propan-2-yl)-8,23-dioxa-1,4,10,13,16,19-hexazatricyclo[19.3.0.06,10]tetracosane-2,5,11,14,17,20-hexone is CC(C)[C@@H]1NC(=O)[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)[C@H](C(C)C)NC(=O)[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)[C@H](C(C)C)NC(=O)[C@@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)NC1=O.
What is the InChIKey of (3S,6S,7R,12S,15R,18S,21S,22R)-15-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-7,9,9,22,24,24-hexamethyl-3,12,18-tri(propan-2-yl)-8,23-dioxa-1,4,10,13,16,19-hexazatricyclo[19.3.0.06,10]tetracosane-2,5,11,14,17,20-hexone?
The InChIKey is FQVVDLFDQAEZIZ-SSUWPBJSSA-N. The full InChI is InChI=1S/C39H70N6O9Si/c1-19(2)25-31(46)43-28(22(7)54-55(17,18)37(10,11)12)32(47)41-26(20(3)4)35(50)45-30(24(9)53-39(45,15)16)34(49)42-27(21(5)6)36(51)44-29(33(48)40-25)23(8)52-38(44,13)14/h19-30H,1-18H3,(H,40,48)(H,41,47)(H,42,49)(H,43,46)/t22-,23-,24-,25+,26+,27+,28-,29+,30+/m1/s1.
What are the key properties of (3S,6S,7R,12S,15R,18S,21S,22R)-15-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-7,9,9,22,24,24-hexamethyl-3,12,18-tri(propan-2-yl)-8,23-dioxa-1,4,10,13,16,19-hexazatricyclo[19.3.0.06,10]tetracosane-2,5,11,14,17,20-hexone?
(3S,6S,7R,12S,15R,18S,21S,22R)-15-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-7,9,9,22,24,24-hexamethyl-3,12,18-tri(propan-2-yl)-8,23-dioxa-1,4,10,13,16,19-hexazatricyclo[19.3.0.06,10]tetracosane-2,5,11,14,17,20-hexone has a molecular weight of 795.11 g/mol, XLogP of 3.02, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S,7R,12S,15R,18S,21S,22R)-15-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-7,9,9,22,24,24-hexamethyl-3,12,18-tri(propan-2-yl)-8,23-dioxa-1,4,10,13,16,19-hexazatricyclo[19.3.0.06,10]tetracosane-2,5,11,14,17,20-hexone is sourced from PubChem (CID 11274357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).