(2R,3S,4S,5R)-2,5-bis[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-3,4-diol

C38H48O5Si2 — CID 11308206

IUPAC(2R,3S,4S,5R)-2,5-bis[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-3,4-diol
SMILESCC(C)(C)[Si](OC[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O)[C@@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H48O5Si2/c1-37(2,3)44(29-19-11-7-12-20-29,30-21-13-8-14-22-30)41-27-33-35(39)36(40)34(43-33)28-42-45(38(4,5)6,31-23-15-9-16-24-31)32-25-17-10-18-26-32/h7-26,33-36,39-40H,27-28H2,1-6H3/t33-,34-,35-,36-/m1/s1
InChIKeyRFQVUTZSQKTQOE-MGXDLYCJSA-N
MW640.97 g/mol
LogP4.63
Rot. Bonds10

About (2R,3S,4S,5R)-2,5-bis[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-3,4-diol

(2R,3S,4S,5R)-2,5-bis[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-3,4-diol (PubChem CID 11308206) has the molecular formula C38H48O5Si2 and a molecular weight of 640.97 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2,5-bis[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2,5-bis[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-3,4-diol
PubChem CID11308206
Molecular FormulaC38H48O5Si2
Molecular Weight640.97 g/mol
Exact Mass640.30
IUPAC Name(2R,3S,4S,5R)-2,5-bis[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-3,4-diol
SMILESCC(C)(C)[Si](OC[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O)[C@@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H48O5Si2/c1-37(2,3)44(29-19-11-7-12-20-29,30-21-13-8-14-22-30)41-27-33-35(39)36(40)34(43-33)28-42-45(38(4,5)6,31-23-15-9-16-24-31)32-25-17-10-18-26-32/h7-26,33-36,39-40H,27-28H2,1-6H3/t33-,34-,35-,36-/m1/s1
InChIKeyRFQVUTZSQKTQOE-MGXDLYCJSA-N
XLogP4.63
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500640.97
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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,5R)-2,5-bis[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-3,4-diol?
The IUPAC name of (2R,3S,4S,5R)-2,5-bis[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-3,4-diol (CID 11308206) is (2R,3S,4S,5R)-2,5-bis[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5R)-2,5-bis[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4S,5R)-2,5-bis[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-3,4-diol is CC(C)(C)[Si](OC[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O)[C@@H]1O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3S,4S,5R)-2,5-bis[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-3,4-diol?
The InChIKey is RFQVUTZSQKTQOE-MGXDLYCJSA-N. The full InChI is InChI=1S/C38H48O5Si2/c1-37(2,3)44(29-19-11-7-12-20-29,30-21-13-8-14-22-30)41-27-33-35(39)36(40)34(43-33)28-42-45(38(4,5)6,31-23-15-9-16-24-31)32-25-17-10-18-26-32/h7-26,33-36,39-40H,27-28H2,1-6H3/t33-,34-,35-,36-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2,5-bis[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-3,4-diol?
(2R,3S,4S,5R)-2,5-bis[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-3,4-diol has a molecular weight of 640.97 g/mol, XLogP of 4.63, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2,5-bis[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-3,4-diol is sourced from PubChem (CID 11308206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).