(2S,3R,4aS,6R,7S,8aR)-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxy-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-ol

C29H60O6Si2 — CID 11272979

IUPAC(2S,3R,4aS,6R,7S,8aR)-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxy-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-ol
SMILESCC(C)[Si](OCC[C@@H]1O[C@@H]2C[C@H](O)[C@@H](CO)O[C@H]2C[C@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C29H60O6Si2/c1-18(2)36(19(3)4,20(5)6)32-14-13-25-28(35-37(21(7)8,22(9)10)23(11)12)16-27-26(33-25)15-24(31)29(17-30)34-27/h18-31H,13-17H2,1-12H3/t24-,25-,26+,27-,28+,29+/m0/s1
InChIKeyMNALPJIQWNJYMD-KLUNGUGNSA-N
MW560.97 g/mol
LogP6.80
Rot. Bonds13

About (2S,3R,4aS,6R,7S,8aR)-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxy-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-ol

(2S,3R,4aS,6R,7S,8aR)-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxy-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-ol (PubChem CID 11272979) has the molecular formula C29H60O6Si2 and a molecular weight of 560.97 g/mol. Its IUPAC name is (2S,3R,4aS,6R,7S,8aR)-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxy-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-ol.

Molecular Properties

Compound Name(2S,3R,4aS,6R,7S,8aR)-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxy-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-ol
PubChem CID11272979
Molecular FormulaC29H60O6Si2
Molecular Weight560.97 g/mol
Exact Mass560.39
IUPAC Name(2S,3R,4aS,6R,7S,8aR)-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxy-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-ol
SMILESCC(C)[Si](OCC[C@@H]1O[C@@H]2C[C@H](O)[C@@H](CO)O[C@H]2C[C@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C29H60O6Si2/c1-18(2)36(19(3)4,20(5)6)32-14-13-25-28(35-37(21(7)8,22(9)10)23(11)12)16-27-26(33-25)15-24(31)29(17-30)34-27/h18-31H,13-17H2,1-12H3/t24-,25-,26+,27-,28+,29+/m0/s1
InChIKeyMNALPJIQWNJYMD-KLUNGUGNSA-N
XLogP6.80
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.97
LogP ≤ 56.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S,3R,4aS,6R,7S,8aR)-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxy-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-ol with MolForge

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Related Compounds

2-[(4aR,6R,8aS)-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]ethanol
CID 56593726
(1S)-1-[(2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-dodecyloxan-2-yl]ethane-1,2-diol
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2-(Hydroxymethyl)-3,5-bis(triethylsilyloxy)-6-(2-trimethylsilylethynyl)oxan-4-ol
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[(4aS,6R,7S,9aR)-7-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepin-6-yl]methanol
CID 10064379
4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butane-1,2-diol
CID 10335215
Zsuomluonmonaj-hddxrbdosa-
CID 23243307
(4aR,6S,7R,8S,8aR)-7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxytetradecoxy]-8-decoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol
CID 91440909
(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2-trimethylsilylethoxy)oxane-3,4,5-triol
CID 139676686
[(2R,3S,4R,6R)-6-(deuteriooxymethyl)-3,4-bis(triethylsilyloxy)oxan-2-yl]methanol
CID 140450585
[(2R,3S,4R,5R,6R)-6-[[deuterio(tritio)methoxy]methyl]-3,4,5-tris(triethylsilyloxy)oxan-2-yl]methanol
CID 140450589
[(2S,3S,4R,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(tritiooxymethoxymethyl)oxan-2-yl]methanol
CID 140450628
2-[(4R,5R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]ethanol
CID 140535876

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4aS,6R,7S,8aR)-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxy-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-ol?
The IUPAC name of (2S,3R,4aS,6R,7S,8aR)-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxy-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-ol (CID 11272979) is (2S,3R,4aS,6R,7S,8aR)-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxy-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-ol.
What is the SMILES notation for (2S,3R,4aS,6R,7S,8aR)-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxy-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-ol?
The canonical SMILES for (2S,3R,4aS,6R,7S,8aR)-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxy-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-ol is CC(C)[Si](OCC[C@@H]1O[C@@H]2C[C@H](O)[C@@H](CO)O[C@H]2C[C@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2S,3R,4aS,6R,7S,8aR)-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxy-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-ol?
The InChIKey is MNALPJIQWNJYMD-KLUNGUGNSA-N. The full InChI is InChI=1S/C29H60O6Si2/c1-18(2)36(19(3)4,20(5)6)32-14-13-25-28(35-37(21(7)8,22(9)10)23(11)12)16-27-26(33-25)15-24(31)29(17-30)34-27/h18-31H,13-17H2,1-12H3/t24-,25-,26+,27-,28+,29+/m0/s1.
What are the key properties of (2S,3R,4aS,6R,7S,8aR)-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxy-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-ol?
(2S,3R,4aS,6R,7S,8aR)-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxy-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-ol has a molecular weight of 560.97 g/mol, XLogP of 6.80, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4aS,6R,7S,8aR)-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxy-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-ol is sourced from PubChem (CID 11272979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).