(2S,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4a-methyl-6-prop-1-en-2-yl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-7-ol

C28H56O5Si2 — CID 11663704

IUPAC(2S,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4a-methyl-6-prop-1-en-2-yl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-7-ol
SMILESC=C(C)[C@H]1O[C@@]2(C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C[C@@H](C)CO[Si](C)(C)C(C)(C)C)O[C@@H]2C[C@@H]1O
InChIInChI=1S/C28H56O5Si2/c1-19(2)25-21(29)16-24-28(10,32-25)17-23(33-35(13,14)27(7,8)9)22(31-24)15-20(3)18-30-34(11,12)26(4,5)6/h20-25,29H,1,15-18H2,2-14H3/t20-,21+,22+,23-,24-,25-,28+/m1/s1
InChIKeyJZAVVMGWGQDSHK-HPSGDPNASA-N
MW528.92 g/mol
LogP7.07
Rot. Bonds8

About (2S,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4a-methyl-6-prop-1-en-2-yl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-7-ol

(2S,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4a-methyl-6-prop-1-en-2-yl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-7-ol (PubChem CID 11663704) has the molecular formula C28H56O5Si2 and a molecular weight of 528.92 g/mol. Its IUPAC name is (2S,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4a-methyl-6-prop-1-en-2-yl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-7-ol.

Molecular Properties

Compound Name(2S,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4a-methyl-6-prop-1-en-2-yl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-7-ol
PubChem CID11663704
Molecular FormulaC28H56O5Si2
Molecular Weight528.92 g/mol
Exact Mass528.37
IUPAC Name(2S,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4a-methyl-6-prop-1-en-2-yl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-7-ol
SMILESC=C(C)[C@H]1O[C@@]2(C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C[C@@H](C)CO[Si](C)(C)C(C)(C)C)O[C@@H]2C[C@@H]1O
InChIInChI=1S/C28H56O5Si2/c1-19(2)25-21(29)16-24-28(10,32-25)17-23(33-35(13,14)27(7,8)9)22(31-24)15-20(3)18-30-34(11,12)26(4,5)6/h20-25,29H,1,15-18H2,2-14H3/t20-,21+,22+,23-,24-,25-,28+/m1/s1
InChIKeyJZAVVMGWGQDSHK-HPSGDPNASA-N
XLogP7.07
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.92
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4a-methyl-6-prop-1-en-2-yl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4a-methyl-6-prop-1-en-2-yl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-7-ol?
The IUPAC name of (2S,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4a-methyl-6-prop-1-en-2-yl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-7-ol (CID 11663704) is (2S,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4a-methyl-6-prop-1-en-2-yl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-7-ol.
What is the SMILES notation for (2S,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4a-methyl-6-prop-1-en-2-yl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-7-ol?
The canonical SMILES for (2S,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4a-methyl-6-prop-1-en-2-yl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-7-ol is C=C(C)[C@H]1O[C@@]2(C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C[C@@H](C)CO[Si](C)(C)C(C)(C)C)O[C@@H]2C[C@@H]1O.
What is the InChIKey of (2S,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4a-methyl-6-prop-1-en-2-yl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-7-ol?
The InChIKey is JZAVVMGWGQDSHK-HPSGDPNASA-N. The full InChI is InChI=1S/C28H56O5Si2/c1-19(2)25-21(29)16-24-28(10,32-25)17-23(33-35(13,14)27(7,8)9)22(31-24)15-20(3)18-30-34(11,12)26(4,5)6/h20-25,29H,1,15-18H2,2-14H3/t20-,21+,22+,23-,24-,25-,28+/m1/s1.
What are the key properties of (2S,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4a-methyl-6-prop-1-en-2-yl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-7-ol?
(2S,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4a-methyl-6-prop-1-en-2-yl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-7-ol has a molecular weight of 528.92 g/mol, XLogP of 7.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4a-methyl-6-prop-1-en-2-yl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-7-ol is sourced from PubChem (CID 11663704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).