(3R,4R,5S)-3-fluoro-5-hydroxy-4,6-bis[tri(propan-2-yl)silyloxy]oxan-2-one

C23H47FO5Si2 — CID 66883077

IUPAC(3R,4R,5S)-3-fluoro-5-hydroxy-4,6-bis[tri(propan-2-yl)silyloxy]oxan-2-one
SMILESCC(C)[Si](OC1OC(=O)[C@H](F)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O)(C(C)C)C(C)C
InChIInChI=1S/C23H47FO5Si2/c1-13(2)30(14(3)4,15(5)6)28-21-19(24)22(26)27-23(20(21)25)29-31(16(7)8,17(9)10)18(11)12/h13-21,23,25H,1-12H3/t19-,20+,21+,23?/m1/s1
InChIKeyVYTWDIXDVUHNBS-NSRDPVEOSA-N
MW478.79 g/mol
LogP6.32
Rot. Bonds10

About (3R,4R,5S)-3-fluoro-5-hydroxy-4,6-bis[tri(propan-2-yl)silyloxy]oxan-2-one

(3R,4R,5S)-3-fluoro-5-hydroxy-4,6-bis[tri(propan-2-yl)silyloxy]oxan-2-one (PubChem CID 66883077) has the molecular formula C23H47FO5Si2 and a molecular weight of 478.79 g/mol. Its IUPAC name is (3R,4R,5S)-3-fluoro-5-hydroxy-4,6-bis[tri(propan-2-yl)silyloxy]oxan-2-one.

Molecular Properties

Compound Name(3R,4R,5S)-3-fluoro-5-hydroxy-4,6-bis[tri(propan-2-yl)silyloxy]oxan-2-one
PubChem CID66883077
Molecular FormulaC23H47FO5Si2
Molecular Weight478.79 g/mol
Exact Mass478.29
IUPAC Name(3R,4R,5S)-3-fluoro-5-hydroxy-4,6-bis[tri(propan-2-yl)silyloxy]oxan-2-one
SMILESCC(C)[Si](OC1OC(=O)[C@H](F)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O)(C(C)C)C(C)C
InChIInChI=1S/C23H47FO5Si2/c1-13(2)30(14(3)4,15(5)6)28-21-19(24)22(26)27-23(20(21)25)29-31(16(7)8,17(9)10)18(11)12/h13-21,23,25H,1-12H3/t19-,20+,21+,23?/m1/s1
InChIKeyVYTWDIXDVUHNBS-NSRDPVEOSA-N
XLogP6.32
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.79
LogP ≤ 56.32
H-Bond Donors ≤ 51
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 (3R,4R,5S)-3-fluoro-5-hydroxy-4,6-bis[tri(propan-2-yl)silyloxy]oxan-2-one?
The IUPAC name of (3R,4R,5S)-3-fluoro-5-hydroxy-4,6-bis[tri(propan-2-yl)silyloxy]oxan-2-one (CID 66883077) is (3R,4R,5S)-3-fluoro-5-hydroxy-4,6-bis[tri(propan-2-yl)silyloxy]oxan-2-one.
What is the SMILES notation for (3R,4R,5S)-3-fluoro-5-hydroxy-4,6-bis[tri(propan-2-yl)silyloxy]oxan-2-one?
The canonical SMILES for (3R,4R,5S)-3-fluoro-5-hydroxy-4,6-bis[tri(propan-2-yl)silyloxy]oxan-2-one is CC(C)[Si](OC1OC(=O)[C@H](F)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O)(C(C)C)C(C)C.
What is the InChIKey of (3R,4R,5S)-3-fluoro-5-hydroxy-4,6-bis[tri(propan-2-yl)silyloxy]oxan-2-one?
The InChIKey is VYTWDIXDVUHNBS-NSRDPVEOSA-N. The full InChI is InChI=1S/C23H47FO5Si2/c1-13(2)30(14(3)4,15(5)6)28-21-19(24)22(26)27-23(20(21)25)29-31(16(7)8,17(9)10)18(11)12/h13-21,23,25H,1-12H3/t19-,20+,21+,23?/m1/s1.
What are the key properties of (3R,4R,5S)-3-fluoro-5-hydroxy-4,6-bis[tri(propan-2-yl)silyloxy]oxan-2-one?
(3R,4R,5S)-3-fluoro-5-hydroxy-4,6-bis[tri(propan-2-yl)silyloxy]oxan-2-one has a molecular weight of 478.79 g/mol, XLogP of 6.32, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-3-fluoro-5-hydroxy-4,6-bis[tri(propan-2-yl)silyloxy]oxan-2-one is sourced from PubChem (CID 66883077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).