(2R,3S,4S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-ol

C24H50O4Si2 — CID 25139138

IUPAC(2R,3S,4S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-ol
SMILESCC(C)[Si](OC[C@H]1OC=C[C@H](O)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C24H50O4Si2/c1-16(2)29(17(3)4,18(5)6)27-15-23-24(22(25)13-14-26-23)28-30(19(7)8,20(9)10)21(11)12/h13-14,16-25H,15H2,1-12H3/t22-,23+,24-/m0/s1
InChIKeyJSCMRUGRLMRBPW-VXNXHJTFSA-N
MW458.83 g/mol
LogP7.01
Rot. Bonds11

About (2R,3S,4S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-ol

(2R,3S,4S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-ol (PubChem CID 25139138) has the molecular formula C24H50O4Si2 and a molecular weight of 458.83 g/mol. Its IUPAC name is (2R,3S,4S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-ol.

Molecular Properties

Compound Name(2R,3S,4S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-ol
PubChem CID25139138
Molecular FormulaC24H50O4Si2
Molecular Weight458.83 g/mol
Exact Mass458.32
IUPAC Name(2R,3S,4S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-ol
SMILESCC(C)[Si](OC[C@H]1OC=C[C@H](O)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C24H50O4Si2/c1-16(2)29(17(3)4,18(5)6)27-15-23-24(22(25)13-14-26-23)28-30(19(7)8,20(9)10)21(11)12/h13-14,16-25H,15H2,1-12H3/t22-,23+,24-/m0/s1
InChIKeyJSCMRUGRLMRBPW-VXNXHJTFSA-N
XLogP7.01
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.83
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-ol?
The IUPAC name of (2R,3S,4S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-ol (CID 25139138) is (2R,3S,4S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-ol.
What is the SMILES notation for (2R,3S,4S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-ol?
The canonical SMILES for (2R,3S,4S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-ol is CC(C)[Si](OC[C@H]1OC=C[C@H](O)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2R,3S,4S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-ol?
The InChIKey is JSCMRUGRLMRBPW-VXNXHJTFSA-N. The full InChI is InChI=1S/C24H50O4Si2/c1-16(2)29(17(3)4,18(5)6)27-15-23-24(22(25)13-14-26-23)28-30(19(7)8,20(9)10)21(11)12/h13-14,16-25H,15H2,1-12H3/t22-,23+,24-/m0/s1.
What are the key properties of (2R,3S,4S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-ol?
(2R,3S,4S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-ol has a molecular weight of 458.83 g/mol, XLogP of 7.01, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-ol is sourced from PubChem (CID 25139138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).