methyl 2-[(4R,6R)-6-[(2S,4S,6S,8R)-9-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4,6,8-tetrahydroxynonyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate

C32H62O11Si — CID 134878962

IUPACmethyl 2-[(4R,6R)-6-[(2S,4S,6S,8R)-9-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4,6,8-tetrahydroxynonyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
SMILESCOC(=O)C[C@H]1C[C@@H](C[C@@H](O)C[C@@H](O)C[C@H](O)C[C@@H](O)C[C@@H]2C[C@H](CCO[Si](C)(C)C(C)(C)C)OC(C)(C)O2)OC(C)(C)O1
InChIInChI=1S/C32H62O11Si/c1-30(2,3)44(9,10)39-12-11-25-18-26(41-31(4,5)40-25)16-23(35)14-21(33)13-22(34)15-24(36)17-27-19-28(20-29(37)38-8)43-32(6,7)42-27/h21-28,33-36H,11-20H2,1-10H3/t21-,22-,23+,24-,25-,26+,27+,28+/m0/s1
InChIKeyPUODAZJVAHDVRS-DNUAKRKWSA-N
MW650.92 g/mol
LogP4.18
Rot. Bonds16

About methyl 2-[(4R,6R)-6-[(2S,4S,6S,8R)-9-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4,6,8-tetrahydroxynonyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate

methyl 2-[(4R,6R)-6-[(2S,4S,6S,8R)-9-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4,6,8-tetrahydroxynonyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate (PubChem CID 134878962) has the molecular formula C32H62O11Si and a molecular weight of 650.92 g/mol. Its IUPAC name is methyl 2-[(4R,6R)-6-[(2S,4S,6S,8R)-9-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4,6,8-tetrahydroxynonyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(4R,6R)-6-[(2S,4S,6S,8R)-9-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4,6,8-tetrahydroxynonyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
PubChem CID134878962
Molecular FormulaC32H62O11Si
Molecular Weight650.92 g/mol
Exact Mass650.41
IUPAC Namemethyl 2-[(4R,6R)-6-[(2S,4S,6S,8R)-9-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4,6,8-tetrahydroxynonyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
SMILESCOC(=O)C[C@H]1C[C@@H](C[C@@H](O)C[C@@H](O)C[C@H](O)C[C@@H](O)C[C@@H]2C[C@H](CCO[Si](C)(C)C(C)(C)C)OC(C)(C)O2)OC(C)(C)O1
InChIInChI=1S/C32H62O11Si/c1-30(2,3)44(9,10)39-12-11-25-18-26(41-31(4,5)40-25)16-23(35)14-21(33)13-22(34)15-24(36)17-27-19-28(20-29(37)38-8)43-32(6,7)42-27/h21-28,33-36H,11-20H2,1-10H3/t21-,22-,23+,24-,25-,26+,27+,28+/m0/s1
InChIKeyPUODAZJVAHDVRS-DNUAKRKWSA-N
XLogP4.18
TPSA153.37 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.92
LogP ≤ 54.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze methyl 2-[(4R,6R)-6-[(2S,4S,6S,8R)-9-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4,6,8-tetrahydroxynonyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate with MolForge

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Related Compounds

methyl 2-[(4R,6R)-6-[[(4S,6R)-6-[[(4R,6R)-6-[[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CID 11308631
methyl 2-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2S)-3-[(2R,3S,6S)-6-[(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethyl]-3-methyloxan-2-yl]-2-hydroxypropyl]oxan-2-yl]acetate
CID 101216701
(4S,6S)-6-((2S,4S)-2,4-bis(Methoxymethoxy)pentyl)-4-((tert-butyldimethylsilyl)oxy)tetrahydro-2H-pyran-2-one
CID 145864775
2-((2R,4S,6S)-6-((2S,4S)-2,4-bis(Methoxymethoxy)pentyl)-4-((tert-butyldimethylsilyl)oxy)tetrahydro-2H-pyran-2-yl)acetic acid
CID 145864779
methyl (3R,5R)-5-(t-butyldimethylsiloxy)-3-hydroxydocosanoate
CID 54058510
methyl (3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhexadecanoate
CID 57164701
ethyl 2-[(4S,6S)-2,2-ditert-butyl-6-(2-hydroxyethyl)-1,3,2-dioxasilinan-4-yl]acetate
CID 58782233
ethyl 4-[(6S)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxopentyl]-2-hydroxyoxan-2-yl]-3-oxobutanoate
CID 59012154
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2S,6R)-6-[[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]methyl]oxan-2-yl]butanoate
CID 59012163
(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hexyl-5-(oxan-2-yloxy)hexadecanoic acid
CID 67855750
3-[Tert-butyl(dimethyl)silyl]oxy-4-[6-(4-ethoxy-2,4-dioxobutyl)-6-hydroxyoxan-2-yl]butanoic acid
CID 68903856
3-[Tert-butyl(dimethyl)silyl]oxy-4-(6-oxooxan-2-yl)butanoic acid
CID 68906977

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4R,6R)-6-[(2S,4S,6S,8R)-9-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4,6,8-tetrahydroxynonyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
The IUPAC name of methyl 2-[(4R,6R)-6-[(2S,4S,6S,8R)-9-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4,6,8-tetrahydroxynonyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate (CID 134878962) is methyl 2-[(4R,6R)-6-[(2S,4S,6S,8R)-9-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4,6,8-tetrahydroxynonyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate.
What is the SMILES notation for methyl 2-[(4R,6R)-6-[(2S,4S,6S,8R)-9-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4,6,8-tetrahydroxynonyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
The canonical SMILES for methyl 2-[(4R,6R)-6-[(2S,4S,6S,8R)-9-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4,6,8-tetrahydroxynonyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate is COC(=O)C[C@H]1C[C@@H](C[C@@H](O)C[C@@H](O)C[C@H](O)C[C@@H](O)C[C@@H]2C[C@H](CCO[Si](C)(C)C(C)(C)C)OC(C)(C)O2)OC(C)(C)O1.
What is the InChIKey of methyl 2-[(4R,6R)-6-[(2S,4S,6S,8R)-9-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4,6,8-tetrahydroxynonyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
The InChIKey is PUODAZJVAHDVRS-DNUAKRKWSA-N. The full InChI is InChI=1S/C32H62O11Si/c1-30(2,3)44(9,10)39-12-11-25-18-26(41-31(4,5)40-25)16-23(35)14-21(33)13-22(34)15-24(36)17-27-19-28(20-29(37)38-8)43-32(6,7)42-27/h21-28,33-36H,11-20H2,1-10H3/t21-,22-,23+,24-,25-,26+,27+,28+/m0/s1.
What are the key properties of methyl 2-[(4R,6R)-6-[(2S,4S,6S,8R)-9-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4,6,8-tetrahydroxynonyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
methyl 2-[(4R,6R)-6-[(2S,4S,6S,8R)-9-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4,6,8-tetrahydroxynonyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate has a molecular weight of 650.92 g/mol, XLogP of 4.18, 16 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4R,6R)-6-[(2S,4S,6S,8R)-9-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4,6,8-tetrahydroxynonyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate is sourced from PubChem (CID 134878962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).