(5S)-5-[(2R,5S)-5-[(2R,3S,4R,5R)-5-[(2S,3S,4S,5R,6S)-4,6-dimethoxy-3,5,6-trimethyloxan-2-yl]-4-methoxy-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-5-triethylsilyloxyhexan-2-one

C33H62O8Si — CID 10984968

IUPAC(5S)-5-[(2R,5S)-5-[(2R,3S,4R,5R)-5-[(2S,3S,4S,5R,6S)-4,6-dimethoxy-3,5,6-trimethyloxan-2-yl]-4-methoxy-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-5-triethylsilyloxyhexan-2-one
SMILESCC[Si](CC)(CC)O[C@@](C)(CCC(C)=O)[C@H]1CC[C@@](C)([C@@H]2O[C@@H]([C@H]3O[C@](C)(OC)[C@H](C)[C@@H](OC)[C@@H]3C)[C@H](OC)[C@@H]2C)O1
InChIInChI=1S/C33H62O8Si/c1-14-42(15-2,16-3)41-31(8,19-17-21(4)34)25-18-20-32(9,39-25)30-23(6)27(36-12)29(38-30)28-22(5)26(35-11)24(7)33(10,37-13)40-28/h22-30H,14-20H2,1-13H3/t22-,23-,24+,25+,26-,27+,28-,29+,30+,31-,32-,33-/m0/s1
InChIKeyMOTVHPXBJHFCQG-ALPFQXIPSA-N
MW614.94 g/mol
LogP6.54
Rot. Bonds14

About (5S)-5-[(2R,5S)-5-[(2R,3S,4R,5R)-5-[(2S,3S,4S,5R,6S)-4,6-dimethoxy-3,5,6-trimethyloxan-2-yl]-4-methoxy-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-5-triethylsilyloxyhexan-2-one

(5S)-5-[(2R,5S)-5-[(2R,3S,4R,5R)-5-[(2S,3S,4S,5R,6S)-4,6-dimethoxy-3,5,6-trimethyloxan-2-yl]-4-methoxy-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-5-triethylsilyloxyhexan-2-one (PubChem CID 10984968) has the molecular formula C33H62O8Si and a molecular weight of 614.94 g/mol. Its IUPAC name is (5S)-5-[(2R,5S)-5-[(2R,3S,4R,5R)-5-[(2S,3S,4S,5R,6S)-4,6-dimethoxy-3,5,6-trimethyloxan-2-yl]-4-methoxy-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-5-triethylsilyloxyhexan-2-one.

Molecular Properties

Compound Name(5S)-5-[(2R,5S)-5-[(2R,3S,4R,5R)-5-[(2S,3S,4S,5R,6S)-4,6-dimethoxy-3,5,6-trimethyloxan-2-yl]-4-methoxy-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-5-triethylsilyloxyhexan-2-one
PubChem CID10984968
Molecular FormulaC33H62O8Si
Molecular Weight614.94 g/mol
Exact Mass614.42
IUPAC Name(5S)-5-[(2R,5S)-5-[(2R,3S,4R,5R)-5-[(2S,3S,4S,5R,6S)-4,6-dimethoxy-3,5,6-trimethyloxan-2-yl]-4-methoxy-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-5-triethylsilyloxyhexan-2-one
SMILESCC[Si](CC)(CC)O[C@@](C)(CCC(C)=O)[C@H]1CC[C@@](C)([C@@H]2O[C@@H]([C@H]3O[C@](C)(OC)[C@H](C)[C@@H](OC)[C@@H]3C)[C@H](OC)[C@@H]2C)O1
InChIInChI=1S/C33H62O8Si/c1-14-42(15-2,16-3)41-31(8,19-17-21(4)34)25-18-20-32(9,39-25)30-23(6)27(36-12)29(38-30)28-22(5)26(35-11)24(7)33(10,37-13)40-28/h22-30H,14-20H2,1-13H3/t22-,23-,24+,25+,26-,27+,28-,29+,30+,31-,32-,33-/m0/s1
InChIKeyMOTVHPXBJHFCQG-ALPFQXIPSA-N
XLogP6.54
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.94
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (5S)-5-[(2R,5S)-5-[(2R,3S,4R,5R)-5-[(2S,3S,4S,5R,6S)-4,6-dimethoxy-3,5,6-trimethyloxan-2-yl]-4-methoxy-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-5-triethylsilyloxyhexan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-2-[(4S,5S,6S)-6-[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]methyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propanal
CID 21638349
1-(7-Acetyl-1,5-dimethyl-6-trimethylsilyloxy-9,10-dioxatricyclo[4.2.1.12,5]decan-3-yl)ethanone
CID 134838118
(5S)-5-[(2R,5S)-5-ethyl-5-[(2R,3S,5R)-5-[(3S,5R,6R)-6-methoxy-6-(methoxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-5-triethylsilyloxyhexan-2-one
CID 134895334
methyl (2S,3R,4S,5S,6R,7S,12S)-12-[(2R,5S)-5-ethyl-5-[(2R,3S,5R)-5-[(3S,5R,6R)-6-methoxy-6-(methoxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-7-hydroxy-3-methoxy-2,4,6-trimethyl-9-oxo-5,12-bis(triethylsilyloxy)tridecanoate
CID 134932846
(1R,3S,7R,8R,9S,13S,14R,17R)-13-methoxy-8-(methoxymethoxy)-9,13,17-trimethyl-17-triethylsilyloxy-6,18-dioxatricyclo[12.3.1.03,7]octadecan-5-one
CID 135025771
2-[(2R,3S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde
CID 175882106
(3R,4S,5R)-5-[(R)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-4-methoxy-3-methyloxolan-2-one
CID 10787966
methyl (2S,3R,4S)-4-[(2S,5R,7S,8R,9S)-2-[(2R,5S)-5-ethyl-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-methoxy-3,5-dimethyl-6-(2-trimethylsilylethoxymethoxymethyl)oxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-7-(methoxymethoxy)-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoate
CID 10963993
(5S)-5-[(2R,5S)-5-[(2R,3R,4R,5R)-5-[(2S,3S,4R)-3-methoxy-2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)pentanoyl]-3-methyl-4-triethylsilyloxyoxolan-2-yl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one
CID 11017530
(5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]oxolan-2-one
CID 11187012
(5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]oxolan-2-one
CID 11256446
2-[(4S,5R)-5-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 11308056

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2R,5S)-5-[(2R,3S,4R,5R)-5-[(2S,3S,4S,5R,6S)-4,6-dimethoxy-3,5,6-trimethyloxan-2-yl]-4-methoxy-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-5-triethylsilyloxyhexan-2-one?
The IUPAC name of (5S)-5-[(2R,5S)-5-[(2R,3S,4R,5R)-5-[(2S,3S,4S,5R,6S)-4,6-dimethoxy-3,5,6-trimethyloxan-2-yl]-4-methoxy-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-5-triethylsilyloxyhexan-2-one (CID 10984968) is (5S)-5-[(2R,5S)-5-[(2R,3S,4R,5R)-5-[(2S,3S,4S,5R,6S)-4,6-dimethoxy-3,5,6-trimethyloxan-2-yl]-4-methoxy-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-5-triethylsilyloxyhexan-2-one.
What is the SMILES notation for (5S)-5-[(2R,5S)-5-[(2R,3S,4R,5R)-5-[(2S,3S,4S,5R,6S)-4,6-dimethoxy-3,5,6-trimethyloxan-2-yl]-4-methoxy-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-5-triethylsilyloxyhexan-2-one?
The canonical SMILES for (5S)-5-[(2R,5S)-5-[(2R,3S,4R,5R)-5-[(2S,3S,4S,5R,6S)-4,6-dimethoxy-3,5,6-trimethyloxan-2-yl]-4-methoxy-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-5-triethylsilyloxyhexan-2-one is CC[Si](CC)(CC)O[C@@](C)(CCC(C)=O)[C@H]1CC[C@@](C)([C@@H]2O[C@@H]([C@H]3O[C@](C)(OC)[C@H](C)[C@@H](OC)[C@@H]3C)[C@H](OC)[C@@H]2C)O1.
What is the InChIKey of (5S)-5-[(2R,5S)-5-[(2R,3S,4R,5R)-5-[(2S,3S,4S,5R,6S)-4,6-dimethoxy-3,5,6-trimethyloxan-2-yl]-4-methoxy-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-5-triethylsilyloxyhexan-2-one?
The InChIKey is MOTVHPXBJHFCQG-ALPFQXIPSA-N. The full InChI is InChI=1S/C33H62O8Si/c1-14-42(15-2,16-3)41-31(8,19-17-21(4)34)25-18-20-32(9,39-25)30-23(6)27(36-12)29(38-30)28-22(5)26(35-11)24(7)33(10,37-13)40-28/h22-30H,14-20H2,1-13H3/t22-,23-,24+,25+,26-,27+,28-,29+,30+,31-,32-,33-/m0/s1.
What are the key properties of (5S)-5-[(2R,5S)-5-[(2R,3S,4R,5R)-5-[(2S,3S,4S,5R,6S)-4,6-dimethoxy-3,5,6-trimethyloxan-2-yl]-4-methoxy-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-5-triethylsilyloxyhexan-2-one?
(5S)-5-[(2R,5S)-5-[(2R,3S,4R,5R)-5-[(2S,3S,4S,5R,6S)-4,6-dimethoxy-3,5,6-trimethyloxan-2-yl]-4-methoxy-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-5-triethylsilyloxyhexan-2-one has a molecular weight of 614.94 g/mol, XLogP of 6.54, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2R,5S)-5-[(2R,3S,4R,5R)-5-[(2S,3S,4S,5R,6S)-4,6-dimethoxy-3,5,6-trimethyloxan-2-yl]-4-methoxy-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-5-triethylsilyloxyhexan-2-one is sourced from PubChem (CID 10984968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).