(2R,3R,4R,5S,6R)-2-[2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]prop-2-enyl]-5-methyl-4-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-ol

C34H68O6Si2 — CID 11039463

IUPAC(2R,3R,4R,5S,6R)-2-[2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]prop-2-enyl]-5-methyl-4-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-ol
SMILESC=C(C[C@H]1COC(C)(C)O1)C[C@H]1O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O
InChIInChI=1S/C34H68O6Si2/c1-21(2)41(22(3)4,23(5)6)37-20-31-28(14)33(40-42(24(7)8,25(9)10)26(11)12)32(35)30(38-31)18-27(13)17-29-19-36-34(15,16)39-29/h21-26,28-33,35H,13,17-20H2,1-12,14-16H3/t28-,29-,30+,31-,32+,33+/m0/s1
InChIKeySTBDLMIGBQGVEC-FVKBMIAUSA-N
MW629.08 g/mol
LogP8.99
Rot. Bonds15

About (2R,3R,4R,5S,6R)-2-[2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]prop-2-enyl]-5-methyl-4-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-ol

(2R,3R,4R,5S,6R)-2-[2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]prop-2-enyl]-5-methyl-4-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-ol (PubChem CID 11039463) has the molecular formula C34H68O6Si2 and a molecular weight of 629.08 g/mol. Its IUPAC name is (2R,3R,4R,5S,6R)-2-[2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]prop-2-enyl]-5-methyl-4-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5S,6R)-2-[2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]prop-2-enyl]-5-methyl-4-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-ol
PubChem CID11039463
Molecular FormulaC34H68O6Si2
Molecular Weight629.08 g/mol
Exact Mass628.46
IUPAC Name(2R,3R,4R,5S,6R)-2-[2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]prop-2-enyl]-5-methyl-4-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-ol
SMILESC=C(C[C@H]1COC(C)(C)O1)C[C@H]1O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O
InChIInChI=1S/C34H68O6Si2/c1-21(2)41(22(3)4,23(5)6)37-20-31-28(14)33(40-42(24(7)8,25(9)10)26(11)12)32(35)30(38-31)18-27(13)17-29-19-36-34(15,16)39-29/h21-26,28-33,35H,13,17-20H2,1-12,14-16H3/t28-,29-,30+,31-,32+,33+/m0/s1
InChIKeySTBDLMIGBQGVEC-FVKBMIAUSA-N
XLogP8.99
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.08
LogP ≤ 58.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R,3R,4R,5S,6R)-2-[2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]prop-2-enyl]-5-methyl-4-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-ol with MolForge

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Related Compounds

(2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-ol
CID 11268781
(2R,5S,6S,8S,9S,10S)-2-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)but-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6,10-dimethyl-8-triethylsilyloxydodec-11-en-3-yn-5-ol
CID 134839744
lithium triethyl-[[(4R,6R,8R,10S,13R)-13-methyl-10-(2-methylidenepentyl)-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane
CID 134940941
(4R,5S)-4-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-hydroxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-5-[(2S,3S,6E)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-7-methylnona-6,8-dienyl]-1,3-dioxolan-2-one
CID 134942070
(2R,3S,4S,5S,7R,9R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,9,10-trimethyl-3-propan-2-yloxy-7-tri(propan-2-yl)silyloxyundec-10-ene-4,5-diol
CID 134971558
(2S,4S,6S)-2-[(2S)-4-[bis(trimethylsilyl)methyl]-2-triethylsilyloxypent-4-enyl]-6-[(2S)-4-hydroxy-2-tri(propan-2-yl)silyloxybutyl]-2-methoxy-3,3-dimethyloxan-4-ol
CID 138968937
(2S,3S,4R)-4-[(2S,6R,8S)-2-[(E,2S,3S,4S)-4,6-dimethyl-3-triethylsilyloxyoct-6-en-2-yl]-4-methoxy-3,9-dimethyl-11-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methyl-3-triethylsilyloxypentan-1-ol
CID 138977253
(4R,6S,7S,9S)-10-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-7,9-dimethyl-2-(trimethylsilylmethyl)dec-1-en-4-ol
CID 162404500
(3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-5-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]pentane-1,4-diol
CID 11014236
(1R,2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol
CID 11038280
(3R)-3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-2-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethyl]pent-4-en-1-ol
CID 11760912
(2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-ol
CID 11772756

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S,6R)-2-[2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]prop-2-enyl]-5-methyl-4-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-ol?
The IUPAC name of (2R,3R,4R,5S,6R)-2-[2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]prop-2-enyl]-5-methyl-4-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-ol (CID 11039463) is (2R,3R,4R,5S,6R)-2-[2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]prop-2-enyl]-5-methyl-4-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-ol.
What is the SMILES notation for (2R,3R,4R,5S,6R)-2-[2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]prop-2-enyl]-5-methyl-4-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-ol?
The canonical SMILES for (2R,3R,4R,5S,6R)-2-[2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]prop-2-enyl]-5-methyl-4-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-ol is C=C(C[C@H]1COC(C)(C)O1)C[C@H]1O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5S,6R)-2-[2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]prop-2-enyl]-5-methyl-4-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-ol?
The InChIKey is STBDLMIGBQGVEC-FVKBMIAUSA-N. The full InChI is InChI=1S/C34H68O6Si2/c1-21(2)41(22(3)4,23(5)6)37-20-31-28(14)33(40-42(24(7)8,25(9)10)26(11)12)32(35)30(38-31)18-27(13)17-29-19-36-34(15,16)39-29/h21-26,28-33,35H,13,17-20H2,1-12,14-16H3/t28-,29-,30+,31-,32+,33+/m0/s1.
What are the key properties of (2R,3R,4R,5S,6R)-2-[2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]prop-2-enyl]-5-methyl-4-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-ol?
(2R,3R,4R,5S,6R)-2-[2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]prop-2-enyl]-5-methyl-4-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-ol has a molecular weight of 629.08 g/mol, XLogP of 8.99, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S,6R)-2-[2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]prop-2-enyl]-5-methyl-4-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-ol is sourced from PubChem (CID 11039463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).