(2S,3S,4S,5R,6R)-5-fluoro-6-(trityloxymethyl)oxane-2,3,4-triol

C25H25FO5 — CID 171123594

IUPAC(2S,3S,4S,5R,6R)-5-fluoro-6-(trityloxymethyl)oxane-2,3,4-triol
SMILESO[C@H]1[C@H](O)[C@@H](O)O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]1F
InChIInChI=1S/C25H25FO5/c26-21-20(31-24(29)23(28)22(21)27)16-30-25(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20-24,27-29H,16H2/t20-,21+,22-,23+,24+/m1/s1
InChIKeyQPICWOAAIGYZGT-KNOCVWDGSA-N
MW424.47 g/mol
LogP2.77
Rot. Bonds6

About (2S,3S,4S,5R,6R)-5-fluoro-6-(trityloxymethyl)oxane-2,3,4-triol

(2S,3S,4S,5R,6R)-5-fluoro-6-(trityloxymethyl)oxane-2,3,4-triol (PubChem CID 171123594) has the molecular formula C25H25FO5 and a molecular weight of 424.47 g/mol. Its IUPAC name is (2S,3S,4S,5R,6R)-5-fluoro-6-(trityloxymethyl)oxane-2,3,4-triol.

Molecular Properties

Compound Name(2S,3S,4S,5R,6R)-5-fluoro-6-(trityloxymethyl)oxane-2,3,4-triol
PubChem CID171123594
Molecular FormulaC25H25FO5
Molecular Weight424.47 g/mol
Exact Mass424.17
IUPAC Name(2S,3S,4S,5R,6R)-5-fluoro-6-(trityloxymethyl)oxane-2,3,4-triol
SMILESO[C@H]1[C@H](O)[C@@H](O)O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]1F
InChIInChI=1S/C25H25FO5/c26-21-20(31-24(29)23(28)22(21)27)16-30-25(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20-24,27-29H,16H2/t20-,21+,22-,23+,24+/m1/s1
InChIKeyQPICWOAAIGYZGT-KNOCVWDGSA-N
XLogP2.77
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4R,5R)-4-fluoro-2-methoxy-5-(trityloxymethyl)oxolan-3-ol
CID 101037426
(2S,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(trityloxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 171126524
(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluorooxolane-2,4-diol
CID 171124942
(2R,3R,4R,5R,6S)-3-iodo-6-(trityloxymethyl)oxane-2,4,5-triol
CID 171122589
(2S,4S,5R)-5-(trityloxymethyl)oxolane-2,4-diol
CID 171126516
(2S,3R,4R)-2-(trityloxymethyl)oxolane-3,4-diol
CID 101240446
2-(trityloxymethyl)oxane-3,4,5-triol
CID 73104798
(2S,3S,5S)-3-fluoro-5-(trityloxymethyl)oxolan-2-ol
CID 14859660
2-methoxy-5-(trityloxymethyl)oxolane-3,4-diol
CID 618218
(2S,3R,4S,5R)-2-methoxy-5-(trityloxymethyl)oxolane-3,4-diol
CID 70409526
(2R,3R,4S,5R,6R)-2-methoxy-6-(trityloxymethyl)oxane-3,4,5-triol
CID 21139713
(2S,3R,4R,5S,6S)-2-methoxy-6-(trityloxymethyl)oxane-3,4,5-triol
CID 7332588

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R,6R)-5-fluoro-6-(trityloxymethyl)oxane-2,3,4-triol?
The IUPAC name of (2S,3S,4S,5R,6R)-5-fluoro-6-(trityloxymethyl)oxane-2,3,4-triol (CID 171123594) is (2S,3S,4S,5R,6R)-5-fluoro-6-(trityloxymethyl)oxane-2,3,4-triol.
What is the SMILES notation for (2S,3S,4S,5R,6R)-5-fluoro-6-(trityloxymethyl)oxane-2,3,4-triol?
The canonical SMILES for (2S,3S,4S,5R,6R)-5-fluoro-6-(trityloxymethyl)oxane-2,3,4-triol is O[C@H]1[C@H](O)[C@@H](O)O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]1F.
What is the InChIKey of (2S,3S,4S,5R,6R)-5-fluoro-6-(trityloxymethyl)oxane-2,3,4-triol?
The InChIKey is QPICWOAAIGYZGT-KNOCVWDGSA-N. The full InChI is InChI=1S/C25H25FO5/c26-21-20(31-24(29)23(28)22(21)27)16-30-25(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20-24,27-29H,16H2/t20-,21+,22-,23+,24+/m1/s1.
What are the key properties of (2S,3S,4S,5R,6R)-5-fluoro-6-(trityloxymethyl)oxane-2,3,4-triol?
(2S,3S,4S,5R,6R)-5-fluoro-6-(trityloxymethyl)oxane-2,3,4-triol has a molecular weight of 424.47 g/mol, XLogP of 2.77, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R,6R)-5-fluoro-6-(trityloxymethyl)oxane-2,3,4-triol is sourced from PubChem (CID 171123594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).