(2S,3R,6R)-2-[2-[[(2S,3R,6R)-2-[[(2S,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxy]ethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol

C32H48O10Si — CID 134880705

IUPAC(2S,3R,6R)-2-[2-[[(2S,3R,6R)-2-[[(2S,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxy]ethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC[C@@H]2O[C@@H](OCC[C@@H]3O[C@@H](OCc4ccccc4)C=C[C@H]3O)C=C[C@H]2O)C=C[C@H]1O
InChIInChI=1S/C32H48O10Si/c1-32(2,3)43(4,5)39-21-28-25(35)13-16-31(42-28)38-20-27-24(34)12-14-29(41-27)36-18-17-26-23(33)11-15-30(40-26)37-19-22-9-7-6-8-10-22/h6-16,23-31,33-35H,17-21H2,1-5H3/t23-,24-,25-,26+,27+,28+,29-,30-,31-/m1/s1
InChIKeyKMHOSCWKDWNQIR-OYQLFMJPSA-N
MW620.81 g/mol
LogP3.57
Rot. Bonds13

About (2S,3R,6R)-2-[2-[[(2S,3R,6R)-2-[[(2S,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxy]ethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol

(2S,3R,6R)-2-[2-[[(2S,3R,6R)-2-[[(2S,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxy]ethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol (PubChem CID 134880705) has the molecular formula C32H48O10Si and a molecular weight of 620.81 g/mol. Its IUPAC name is (2S,3R,6R)-2-[2-[[(2S,3R,6R)-2-[[(2S,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxy]ethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(2S,3R,6R)-2-[2-[[(2S,3R,6R)-2-[[(2S,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxy]ethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
PubChem CID134880705
Molecular FormulaC32H48O10Si
Molecular Weight620.81 g/mol
Exact Mass620.30
IUPAC Name(2S,3R,6R)-2-[2-[[(2S,3R,6R)-2-[[(2S,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxy]ethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC[C@@H]2O[C@@H](OCC[C@@H]3O[C@@H](OCc4ccccc4)C=C[C@H]3O)C=C[C@H]2O)C=C[C@H]1O
InChIInChI=1S/C32H48O10Si/c1-32(2,3)43(4,5)39-21-28-25(35)13-16-31(42-28)38-20-27-24(34)12-14-29(41-27)36-18-17-26-23(33)11-15-30(40-26)37-19-22-9-7-6-8-10-22/h6-16,23-31,33-35H,17-21H2,1-5H3/t23-,24-,25-,26+,27+,28+,29-,30-,31-/m1/s1
InChIKeyKMHOSCWKDWNQIR-OYQLFMJPSA-N
XLogP3.57
TPSA125.30 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500620.81
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (2S,3R,6R)-2-[2-[[(2S,3R,6R)-2-[[(2S,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxy]ethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol with MolForge

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Launch Full Analysis

Related Compounds

(2R,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
CID 177419468
(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-ol
CID 11748235
[(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl] benzoate
CID 10832617
(2R,3S,6S)-6-[(E)-but-2-enoxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-ol
CID 10852786
(2S,3R,6R)-2-methyl-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
CID 71403552
(2R,3S,6S)-2-methyl-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
CID 102291658
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-5,10,15,20,25,30,35-heptakis[[tert-butyl(dimethyl)silyl]oxymethyl]-37,39,41,43,45,47,49-heptakis(phenylmethoxy)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,38,40,42,44,46,48-heptol
CID 10261037
(3S,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethyl-4-phenylmethoxyoxan-3-ol
CID 91067670
(3R,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-ol
CID 58292429
(2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxane-3,5-diol
CID 102125850
tert-butyl-dimethyl-[[(1R,2S,5S,7R)-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]oct-3-en-7-yl]methoxy]silane
CID 11100548
tert-butyl-[[(3S,4S)-3,4-dimethyl-5,6-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane
CID 158326767

Frequently Asked Questions

What is the IUPAC name of (2S,3R,6R)-2-[2-[[(2S,3R,6R)-2-[[(2S,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxy]ethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of (2S,3R,6R)-2-[2-[[(2S,3R,6R)-2-[[(2S,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxy]ethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol (CID 134880705) is (2S,3R,6R)-2-[2-[[(2S,3R,6R)-2-[[(2S,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxy]ethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (2S,3R,6R)-2-[2-[[(2S,3R,6R)-2-[[(2S,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxy]ethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for (2S,3R,6R)-2-[2-[[(2S,3R,6R)-2-[[(2S,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxy]ethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol is CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC[C@@H]2O[C@@H](OCC[C@@H]3O[C@@H](OCc4ccccc4)C=C[C@H]3O)C=C[C@H]2O)C=C[C@H]1O.
What is the InChIKey of (2S,3R,6R)-2-[2-[[(2S,3R,6R)-2-[[(2S,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxy]ethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is KMHOSCWKDWNQIR-OYQLFMJPSA-N. The full InChI is InChI=1S/C32H48O10Si/c1-32(2,3)43(4,5)39-21-28-25(35)13-16-31(42-28)38-20-27-24(34)12-14-29(41-27)36-18-17-26-23(33)11-15-30(40-26)37-19-22-9-7-6-8-10-22/h6-16,23-31,33-35H,17-21H2,1-5H3/t23-,24-,25-,26+,27+,28+,29-,30-,31-/m1/s1.
What are the key properties of (2S,3R,6R)-2-[2-[[(2S,3R,6R)-2-[[(2S,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxy]ethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol?
(2S,3R,6R)-2-[2-[[(2S,3R,6R)-2-[[(2S,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxy]ethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 620.81 g/mol, XLogP of 3.57, 13 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,6R)-2-[2-[[(2S,3R,6R)-2-[[(2S,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxy]ethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 134880705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).