CID 88569468

C23H29BO5Si — CID 88569468

IUPAC—
SMILES[B][C@@H]1O[C@H](CO)[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1OC(C)=O
InChIInChI=1S/C23H29BO5Si/c1-16(26)27-21-20(19(15-25)28-22(21)24)29-30(23(2,3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19-22,25H,15H2,1-4H3/t19-,20-,21+,22-/m1/s1
InChIKeyBKCNVFJZJDFAEQ-YUMYIRISSA-N
MW424.38 g/mol
LogP1.75
Rot. Bonds6

About CID 88569468

CID 88569468 (PubChem CID 88569468) has the molecular formula C23H29BO5Si and a molecular weight of 424.38 g/mol.

Molecular Properties

Compound NameCID 88569468
PubChem CID88569468
Molecular FormulaC23H29BO5Si
Molecular Weight424.38 g/mol
Exact Mass424.19
IUPAC Name—
SMILES[B][C@@H]1O[C@H](CO)[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1OC(C)=O
InChIInChI=1S/C23H29BO5Si/c1-16(26)27-21-20(19(15-25)28-22(21)24)29-30(23(2,3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19-22,25H,15H2,1-4H3/t19-,20-,21+,22-/m1/s1
InChIKeyBKCNVFJZJDFAEQ-YUMYIRISSA-N
XLogP1.75
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3R,5R)-4-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)oxolan-3-yl] acetate
CID 58592657
[(3S,4R,5R,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dihydroxyoxan-3-yl] acetate
CID 134931192
[(2S,5R,6R)-4-bromo-5-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-2-methyloxan-3-yl] acetate
CID 171124282
(3S,4S,5S,6S)-3-[tert-butyl(diphenyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 10811969
[(2R,3R,4S,5R)-4-acetyloxy-5-acetylsulfanyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-yl] acetate
CID 91077201
[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-5-amino-6-[tert-butyl(diphenyl)silyl]oxyoxan-2-yl]methyl acetate
CID 50937055
[(2S,3R,4S,5R,6S)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-3-iodo-6-methyloxan-2-yl] acetate
CID 101050608
(3R,6R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-ol
CID 164669991
[(2R,3S,4S,5S,6R)-4,5-diacetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylsulfanyloxan-3-yl] acetate
CID 44607200
[(3R,4R,5S)-2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethynyloxolan-3-yl] acetate
CID 140772716
[(3aS,4R,6R,7R,7aS)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4-sulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl] acetate
CID 12000417
[(2S,3S,4R,5R)-4-benzoyloxy-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyoxolan-2-yl]methyl benzoate
CID 171122516

Frequently Asked Questions

What is the IUPAC name of CID 88569468?
The IUPAC name of CID 88569468 (CID 88569468) is not available.
What is the SMILES notation for CID 88569468?
The canonical SMILES for CID 88569468 is [B][C@@H]1O[C@H](CO)[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1OC(C)=O.
What is the InChIKey of CID 88569468?
The InChIKey is BKCNVFJZJDFAEQ-YUMYIRISSA-N. The full InChI is InChI=1S/C23H29BO5Si/c1-16(26)27-21-20(19(15-25)28-22(21)24)29-30(23(2,3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19-22,25H,15H2,1-4H3/t19-,20-,21+,22-/m1/s1.
What are the key properties of CID 88569468?
CID 88569468 has a molecular weight of 424.38 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88569468 is sourced from PubChem (CID 88569468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).