(3S,4R,5S,6R,7R,9R)-10-[tert-butyl(diphenyl)silyl]oxy-6-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3,5,7,9-tetramethyldec-1-ene-4,7-diol

C39H63NO5Si — CID 140700058

IUPAC(3S,4R,5S,6R,7R,9R)-10-[tert-butyl(diphenyl)silyl]oxy-6-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3,5,7,9-tetramethyldec-1-ene-4,7-diol
SMILESC=C[C@H](C)[C@@H](O)[C@H](C)[C@@H](OC1O[C@H](C)C[C@H](N(C)C)[C@H]1C)[C@](C)(O)C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C39H63NO5Si/c1-13-28(3)35(41)31(6)36(45-37-30(5)34(40(11)12)24-29(4)44-37)39(10,42)25-27(2)26-43-46(38(7,8)9,32-20-16-14-17-21-32)33-22-18-15-19-23-33/h13-23,27-31,34-37,41-42H,1,24-26H2,2-12H3/t27-,28+,29-,30-,31+,34+,35-,36-,37?,39-/m1/s1
InChIKeyNCUWGEIXKDHZLZ-SHNVJUFUSA-N
MW654.02 g/mol
LogP6.25
Rot. Bonds15

About (3S,4R,5S,6R,7R,9R)-10-[tert-butyl(diphenyl)silyl]oxy-6-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3,5,7,9-tetramethyldec-1-ene-4,7-diol

(3S,4R,5S,6R,7R,9R)-10-[tert-butyl(diphenyl)silyl]oxy-6-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3,5,7,9-tetramethyldec-1-ene-4,7-diol (PubChem CID 140700058) has the molecular formula C39H63NO5Si and a molecular weight of 654.02 g/mol. Its IUPAC name is (3S,4R,5S,6R,7R,9R)-10-[tert-butyl(diphenyl)silyl]oxy-6-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3,5,7,9-tetramethyldec-1-ene-4,7-diol.

Molecular Properties

Compound Name(3S,4R,5S,6R,7R,9R)-10-[tert-butyl(diphenyl)silyl]oxy-6-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3,5,7,9-tetramethyldec-1-ene-4,7-diol
PubChem CID140700058
Molecular FormulaC39H63NO5Si
Molecular Weight654.02 g/mol
Exact Mass653.45
IUPAC Name(3S,4R,5S,6R,7R,9R)-10-[tert-butyl(diphenyl)silyl]oxy-6-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3,5,7,9-tetramethyldec-1-ene-4,7-diol
SMILESC=C[C@H](C)[C@@H](O)[C@H](C)[C@@H](OC1O[C@H](C)C[C@H](N(C)C)[C@H]1C)[C@](C)(O)C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C39H63NO5Si/c1-13-28(3)35(41)31(6)36(45-37-30(5)34(40(11)12)24-29(4)44-37)39(10,42)25-27(2)26-43-46(38(7,8)9,32-20-16-14-17-21-32)33-22-18-15-19-23-33/h13-23,27-31,34-37,41-42H,1,24-26H2,2-12H3/t27-,28+,29-,30-,31+,34+,35-,36-,37?,39-/m1/s1
InChIKeyNCUWGEIXKDHZLZ-SHNVJUFUSA-N
XLogP6.25
TPSA71.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.02
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3S,4R,5S,6R,7R,9R)-10-[tert-butyl(diphenyl)silyl]oxy-6-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3,5,7,9-tetramethyldec-1-ene-4,7-diol 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,4R,5S,6R,7R,9R)-10-[tert-butyl(diphenyl)silyl]oxy-6-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3,5,7,9-tetramethyldec-1-ene-4,7-diol?
The IUPAC name of (3S,4R,5S,6R,7R,9R)-10-[tert-butyl(diphenyl)silyl]oxy-6-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3,5,7,9-tetramethyldec-1-ene-4,7-diol (CID 140700058) is (3S,4R,5S,6R,7R,9R)-10-[tert-butyl(diphenyl)silyl]oxy-6-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3,5,7,9-tetramethyldec-1-ene-4,7-diol.
What is the SMILES notation for (3S,4R,5S,6R,7R,9R)-10-[tert-butyl(diphenyl)silyl]oxy-6-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3,5,7,9-tetramethyldec-1-ene-4,7-diol?
The canonical SMILES for (3S,4R,5S,6R,7R,9R)-10-[tert-butyl(diphenyl)silyl]oxy-6-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3,5,7,9-tetramethyldec-1-ene-4,7-diol is C=C[C@H](C)[C@@H](O)[C@H](C)[C@@H](OC1O[C@H](C)C[C@H](N(C)C)[C@H]1C)[C@](C)(O)C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (3S,4R,5S,6R,7R,9R)-10-[tert-butyl(diphenyl)silyl]oxy-6-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3,5,7,9-tetramethyldec-1-ene-4,7-diol?
The InChIKey is NCUWGEIXKDHZLZ-SHNVJUFUSA-N. The full InChI is InChI=1S/C39H63NO5Si/c1-13-28(3)35(41)31(6)36(45-37-30(5)34(40(11)12)24-29(4)44-37)39(10,42)25-27(2)26-43-46(38(7,8)9,32-20-16-14-17-21-32)33-22-18-15-19-23-33/h13-23,27-31,34-37,41-42H,1,24-26H2,2-12H3/t27-,28+,29-,30-,31+,34+,35-,36-,37?,39-/m1/s1.
What are the key properties of (3S,4R,5S,6R,7R,9R)-10-[tert-butyl(diphenyl)silyl]oxy-6-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3,5,7,9-tetramethyldec-1-ene-4,7-diol?
(3S,4R,5S,6R,7R,9R)-10-[tert-butyl(diphenyl)silyl]oxy-6-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3,5,7,9-tetramethyldec-1-ene-4,7-diol has a molecular weight of 654.02 g/mol, XLogP of 6.25, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S,6R,7R,9R)-10-[tert-butyl(diphenyl)silyl]oxy-6-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3,5,7,9-tetramethyldec-1-ene-4,7-diol is sourced from PubChem (CID 140700058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).