(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(Z)-[(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]methyl]oxan-4-one

C53H72O9Si2 — CID 102502311

IUPAC(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(Z)-[(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]methyl]oxan-4-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](/C=C2\O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)CC(=O)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C53H72O9Si2/c1-52(2,3)63(7,8)59-38-47-48(62-64(9,10)53(4,5)6)44(54)31-43(60-47)32-45-49(56-34-40-25-17-12-18-26-40)51(58-36-42-29-21-14-22-30-42)50(57-35-41-27-19-13-20-28-41)46(61-45)37-55-33-39-23-15-11-16-24-39/h11-30,32,43,46-51H,31,33-38H2,1-10H3/b45-32-/t43-,46+,47+,48+,49-,50-,51+/m0/s1
InChIKeyKRKZPCXUVVSDOG-DOQJUYGVSA-N
MW909.32 g/mol
LogP11.38
Rot. Bonds19

About (2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(Z)-[(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]methyl]oxan-4-one

(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(Z)-[(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]methyl]oxan-4-one (PubChem CID 102502311) has the molecular formula C53H72O9Si2 and a molecular weight of 909.32 g/mol. Its IUPAC name is (2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(Z)-[(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]methyl]oxan-4-one.

Molecular Properties

Compound Name(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(Z)-[(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]methyl]oxan-4-one
PubChem CID102502311
Molecular FormulaC53H72O9Si2
Molecular Weight909.32 g/mol
Exact Mass908.47
IUPAC Name(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(Z)-[(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]methyl]oxan-4-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](/C=C2\O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)CC(=O)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C53H72O9Si2/c1-52(2,3)63(7,8)59-38-47-48(62-64(9,10)53(4,5)6)44(54)31-43(60-47)32-45-49(56-34-40-25-17-12-18-26-40)51(58-36-42-29-21-14-22-30-42)50(57-35-41-27-19-13-20-28-41)46(61-45)37-55-33-39-23-15-11-16-24-39/h11-30,32,43,46-51H,31,33-38H2,1-10H3/b45-32-/t43-,46+,47+,48+,49-,50-,51+/m0/s1
InChIKeyKRKZPCXUVVSDOG-DOQJUYGVSA-N
XLogP11.38
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.32
LogP ≤ 511.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(Z)-[(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]methyl]oxan-4-one with MolForge

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Related Compounds

(2R,3R,4S,5R,6Z)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methylidene]oxane
CID 11115780
trimethyl-[(3Z)-3-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]prop-1-ynyl]silane
CID 102072085
tert-butyl-dimethyl-[[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-prop-2-enyloxan-2-yl]methoxy]silane
CID 72723984
(5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-one
CID 134832144
(2R,3S,6R)-6-[dimethyl(phenyl)silyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-one
CID 10928642
tert-butyl-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-5-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-dimethylsilane
CID 132937828
(3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanal
CID 11650644
(3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
CID 130757032
tert-butyl-dimethyl-[4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxybutoxy]silane
CID 178166627
(3R,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-ol
CID 58292429
(2R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-ol
CID 71166590
(3R,4S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-ol
CID 171122175

Frequently Asked Questions

What is the IUPAC name of (2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(Z)-[(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]methyl]oxan-4-one?
The IUPAC name of (2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(Z)-[(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]methyl]oxan-4-one (CID 102502311) is (2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(Z)-[(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]methyl]oxan-4-one.
What is the SMILES notation for (2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(Z)-[(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]methyl]oxan-4-one?
The canonical SMILES for (2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(Z)-[(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]methyl]oxan-4-one is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](/C=C2\O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)CC(=O)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(Z)-[(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]methyl]oxan-4-one?
The InChIKey is KRKZPCXUVVSDOG-DOQJUYGVSA-N. The full InChI is InChI=1S/C53H72O9Si2/c1-52(2,3)63(7,8)59-38-47-48(62-64(9,10)53(4,5)6)44(54)31-43(60-47)32-45-49(56-34-40-25-17-12-18-26-40)51(58-36-42-29-21-14-22-30-42)50(57-35-41-27-19-13-20-28-41)46(61-45)37-55-33-39-23-15-11-16-24-39/h11-30,32,43,46-51H,31,33-38H2,1-10H3/b45-32-/t43-,46+,47+,48+,49-,50-,51+/m0/s1.
What are the key properties of (2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(Z)-[(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]methyl]oxan-4-one?
(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(Z)-[(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]methyl]oxan-4-one has a molecular weight of 909.32 g/mol, XLogP of 11.38, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(Z)-[(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]methyl]oxan-4-one is sourced from PubChem (CID 102502311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).