(6S,8R,8aR)-6,8-dimethyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(3R,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-ol;(4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one;(3R,4S,6S)-2-(hydroxymethyl)-4,6-dimethyl-5-phenylmethoxyoxan-3-ol

C79H118O16Si2 — CID 123841784

IUPAC(6S,8R,8aR)-6,8-dimethyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(3R,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-ol;(4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one;(3R,4S,6S)-2-(hydroxymethyl)-4,6-dimethyl-5-phenylmethoxyoxan-3-ol
SMILESC[C@@H]1OC(CO)[C@H](O)[C@H](C)C1OCc1ccccc1.C[C@@H]1OC(CO[Si](C)(C)C(C)(C)C)C(=O)[C@H](C)C1OCc1ccccc1.C[C@@H]1OC(CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](C)C1OCc1ccccc1.C[C@@H]1OC2COC(c3ccccc3)O[C@@H]2[C@H](C)C1OCc1ccccc1
InChIInChI=1S/C22H26O4.C21H36O4Si.C21H34O4Si.C15H22O4/c1-15-20(23-13-17-9-5-3-6-10-17)16(2)25-19-14-24-22(26-21(15)19)18-11-7-4-8-12-18;2*1-15-19(22)18(14-24-26(6,7)21(3,4)5)25-16(2)20(15)23-13-17-11-9-8-10-12-17;1-10-14(17)13(8-16)19-11(2)15(10)18-9-12-6-4-3-5-7-12/h3-12,15-16,19-22H,13-14H2,1-2H3;8-12,15-16,18-20,22H,13-14H2,1-7H3;8-12,15-16,18,20H,13-14H2,1-7H3;3-7,10-11,13-17H,8-9H2,1-2H3/t15-,16+,19?,20?,21-,22?;15-,16-,18?,19+,20?;15-,16-,18?,20?;10-,11-,13?,14+,15?/m1000/s1
InChIKeyPKPCLTSDWIHGGA-IUPCBKTDSA-N
MW1379.97 g/mol
LogP14.42
Rot. Bonds20

About (6S,8R,8aR)-6,8-dimethyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(3R,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-ol;(4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one;(3R,4S,6S)-2-(hydroxymethyl)-4,6-dimethyl-5-phenylmethoxyoxan-3-ol

(6S,8R,8aR)-6,8-dimethyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(3R,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-ol;(4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one;(3R,4S,6S)-2-(hydroxymethyl)-4,6-dimethyl-5-phenylmethoxyoxan-3-ol (PubChem CID 123841784) has the molecular formula C79H118O16Si2 and a molecular weight of 1379.97 g/mol. Its IUPAC name is (6S,8R,8aR)-6,8-dimethyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(3R,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-ol;(4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one;(3R,4S,6S)-2-(hydroxymethyl)-4,6-dimethyl-5-phenylmethoxyoxan-3-ol.

Molecular Properties

Compound Name(6S,8R,8aR)-6,8-dimethyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(3R,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-ol;(4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one;(3R,4S,6S)-2-(hydroxymethyl)-4,6-dimethyl-5-phenylmethoxyoxan-3-ol
PubChem CID123841784
Molecular FormulaC79H118O16Si2
Molecular Weight1379.97 g/mol
Exact Mass1378.80
IUPAC Name(6S,8R,8aR)-6,8-dimethyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(3R,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-ol;(4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one;(3R,4S,6S)-2-(hydroxymethyl)-4,6-dimethyl-5-phenylmethoxyoxan-3-ol
SMILESC[C@@H]1OC(CO)[C@H](O)[C@H](C)C1OCc1ccccc1.C[C@@H]1OC(CO[Si](C)(C)C(C)(C)C)C(=O)[C@H](C)C1OCc1ccccc1.C[C@@H]1OC(CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](C)C1OCc1ccccc1.C[C@@H]1OC2COC(c3ccccc3)O[C@@H]2[C@H](C)C1OCc1ccccc1
InChIInChI=1S/C22H26O4.C21H36O4Si.C21H34O4Si.C15H22O4/c1-15-20(23-13-17-9-5-3-6-10-17)16(2)25-19-14-24-22(26-21(15)19)18-11-7-4-8-12-18;2*1-15-19(22)18(14-24-26(6,7)21(3,4)5)25-16(2)20(15)23-13-17-11-9-8-10-12-17;1-10-14(17)13(8-16)19-11(2)15(10)18-9-12-6-4-3-5-7-12/h3-12,15-16,19-22H,13-14H2,1-2H3;8-12,15-16,18-20,22H,13-14H2,1-7H3;8-12,15-16,18,20H,13-14H2,1-7H3;3-7,10-11,13-17H,8-9H2,1-2H3/t15-,16+,19?,20?,21-,22?;15-,16-,18?,19+,20?;15-,16-,18?,20?;10-,11-,13?,14+,15?/m1000/s1
InChIKeyPKPCLTSDWIHGGA-IUPCBKTDSA-N
XLogP14.42
TPSA188.52 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001379.97
LogP ≤ 514.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze (6S,8R,8aR)-6,8-dimethyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(3R,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-ol;(4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one;(3R,4S,6S)-2-(hydroxymethyl)-4,6-dimethyl-5-phenylmethoxyoxan-3-ol with MolForge

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Launch Full Analysis

Related Compounds

(4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one
CID 58292531
(3R,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-ol
CID 58292429
(3S,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethyl-4-phenylmethoxyoxan-3-ol
CID 91067670
(6S,8S,8aR)-6-methyl-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;[(2S,4S,5R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-2-methyl-4-phenylmethoxyoxan-3-yl] benzoate
CID 90710477
[(6R,8S,8aS)-6,8-dimethyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane
CID 157142781
(4aR,7S,8R,8aR)-6-methyl-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 167040724
(6S,8S,8aR)-6-methyl-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 71013745
(6S,8S,8aS)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 157295900
(6R,8R,8aS)-6,8-dimethyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;[(2S,3R,4S)-4-[[(6R,8S,8aS)-8-hydroxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,5,6-trimethyloxan-3-yl] benzoate;[(2S,3S,4S)-4-hydroxy-2,5,6-trimethyloxan-3-yl] benzoate
CID 158511493
(4aR,6S,7R,8R,8aR)-6-[(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 10975220
(3S,4S,6S)-4,6-dimethyl-5-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 126550257
(2R,3S,4S,5R)-2-[[(2R,4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-(hydroxymethyl)oxolane-3,4-diol
CID 10973191

Frequently Asked Questions

What is the IUPAC name of (6S,8R,8aR)-6,8-dimethyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(3R,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-ol;(4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one;(3R,4S,6S)-2-(hydroxymethyl)-4,6-dimethyl-5-phenylmethoxyoxan-3-ol?
The IUPAC name of (6S,8R,8aR)-6,8-dimethyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(3R,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-ol;(4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one;(3R,4S,6S)-2-(hydroxymethyl)-4,6-dimethyl-5-phenylmethoxyoxan-3-ol (CID 123841784) is (6S,8R,8aR)-6,8-dimethyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(3R,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-ol;(4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one;(3R,4S,6S)-2-(hydroxymethyl)-4,6-dimethyl-5-phenylmethoxyoxan-3-ol.
What is the SMILES notation for (6S,8R,8aR)-6,8-dimethyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(3R,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-ol;(4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one;(3R,4S,6S)-2-(hydroxymethyl)-4,6-dimethyl-5-phenylmethoxyoxan-3-ol?
The canonical SMILES for (6S,8R,8aR)-6,8-dimethyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(3R,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-ol;(4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one;(3R,4S,6S)-2-(hydroxymethyl)-4,6-dimethyl-5-phenylmethoxyoxan-3-ol is C[C@@H]1OC(CO)[C@H](O)[C@H](C)C1OCc1ccccc1.C[C@@H]1OC(CO[Si](C)(C)C(C)(C)C)C(=O)[C@H](C)C1OCc1ccccc1.C[C@@H]1OC(CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](C)C1OCc1ccccc1.C[C@@H]1OC2COC(c3ccccc3)O[C@@H]2[C@H](C)C1OCc1ccccc1.
What is the InChIKey of (6S,8R,8aR)-6,8-dimethyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(3R,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-ol;(4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one;(3R,4S,6S)-2-(hydroxymethyl)-4,6-dimethyl-5-phenylmethoxyoxan-3-ol?
The InChIKey is PKPCLTSDWIHGGA-IUPCBKTDSA-N. The full InChI is InChI=1S/C22H26O4.C21H36O4Si.C21H34O4Si.C15H22O4/c1-15-20(23-13-17-9-5-3-6-10-17)16(2)25-19-14-24-22(26-21(15)19)18-11-7-4-8-12-18;2*1-15-19(22)18(14-24-26(6,7)21(3,4)5)25-16(2)20(15)23-13-17-11-9-8-10-12-17;1-10-14(17)13(8-16)19-11(2)15(10)18-9-12-6-4-3-5-7-12/h3-12,15-16,19-22H,13-14H2,1-2H3;8-12,15-16,18-20,22H,13-14H2,1-7H3;8-12,15-16,18,20H,13-14H2,1-7H3;3-7,10-11,13-17H,8-9H2,1-2H3/t15-,16+,19?,20?,21-,22?;15-,16-,18?,19+,20?;15-,16-,18?,20?;10-,11-,13?,14+,15?/m1000/s1.
What are the key properties of (6S,8R,8aR)-6,8-dimethyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(3R,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-ol;(4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one;(3R,4S,6S)-2-(hydroxymethyl)-4,6-dimethyl-5-phenylmethoxyoxan-3-ol?
(6S,8R,8aR)-6,8-dimethyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(3R,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-ol;(4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one;(3R,4S,6S)-2-(hydroxymethyl)-4,6-dimethyl-5-phenylmethoxyoxan-3-ol has a molecular weight of 1379.97 g/mol, XLogP of 14.42, 20 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8R,8aR)-6,8-dimethyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(3R,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-ol;(4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one;(3R,4S,6S)-2-(hydroxymethyl)-4,6-dimethyl-5-phenylmethoxyoxan-3-ol is sourced from PubChem (CID 123841784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).