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

C25H25IO5 — CID 171122589

IUPAC(2R,3R,4R,5R,6S)-3-iodo-6-(trityloxymethyl)oxane-2,4,5-triol
SMILESO[C@@H]1[C@@H](O)[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@@H](O)[C@@H]1I
InChIInChI=1S/C25H25IO5/c26-21-23(28)22(27)20(31-24(21)29)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+/m0/s1
InChIKeyKRFLGBMVIFEABC-VHJOFQCFSA-N
MW532.37 g/mol
LogP3.24
Rot. Bonds6

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

(2R,3R,4R,5R,6S)-3-iodo-6-(trityloxymethyl)oxane-2,4,5-triol (PubChem CID 171122589) has the molecular formula C25H25IO5 and a molecular weight of 532.37 g/mol. Its IUPAC name is (2R,3R,4R,5R,6S)-3-iodo-6-(trityloxymethyl)oxane-2,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5R,6S)-3-iodo-6-(trityloxymethyl)oxane-2,4,5-triol
PubChem CID171122589
Molecular FormulaC25H25IO5
Molecular Weight532.37 g/mol
Exact Mass532.07
IUPAC Name(2R,3R,4R,5R,6S)-3-iodo-6-(trityloxymethyl)oxane-2,4,5-triol
SMILESO[C@@H]1[C@@H](O)[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@@H](O)[C@@H]1I
InChIInChI=1S/C25H25IO5/c26-21-23(28)22(27)20(31-24(21)29)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+/m0/s1
InChIKeyKRFLGBMVIFEABC-VHJOFQCFSA-N
XLogP3.24
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.37
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(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
2-methoxy-5-(trityloxymethyl)oxolane-3,4-diol
CID 618218
(2S,3S,4S,5R,6R)-5-fluoro-6-(trityloxymethyl)oxane-2,3,4-triol
CID 171123594
(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
2-(trityloxymethyl)oxane-3,4,5-triol
CID 73104798
(1R,2S,4R,5S,6R)-2-methoxy-4-(trityloxymethyl)-3,7-dioxabicyclo[4.1.0]heptan-5-ol
CID 15708619
(2S,3S,4S,5S,6R)-2-phenylmethoxy-6-(trityloxymethyl)oxane-3,4,5-triol
CID 10459079
(3aR,5R,6S,7S,7aR)-2-methyl-5-(trityloxymethyl)-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6,7-diol
CID 24755739
3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol
CID 76503472
(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluorooxolane-2,4-diol
CID 171124942

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,6S)-3-iodo-6-(trityloxymethyl)oxane-2,4,5-triol?
The IUPAC name of (2R,3R,4R,5R,6S)-3-iodo-6-(trityloxymethyl)oxane-2,4,5-triol (CID 171122589) is (2R,3R,4R,5R,6S)-3-iodo-6-(trityloxymethyl)oxane-2,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5R,6S)-3-iodo-6-(trityloxymethyl)oxane-2,4,5-triol?
The canonical SMILES for (2R,3R,4R,5R,6S)-3-iodo-6-(trityloxymethyl)oxane-2,4,5-triol is O[C@@H]1[C@@H](O)[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@@H](O)[C@@H]1I.
What is the InChIKey of (2R,3R,4R,5R,6S)-3-iodo-6-(trityloxymethyl)oxane-2,4,5-triol?
The InChIKey is KRFLGBMVIFEABC-VHJOFQCFSA-N. The full InChI is InChI=1S/C25H25IO5/c26-21-23(28)22(27)20(31-24(21)29)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+/m0/s1.
What are the key properties of (2R,3R,4R,5R,6S)-3-iodo-6-(trityloxymethyl)oxane-2,4,5-triol?
(2R,3R,4R,5R,6S)-3-iodo-6-(trityloxymethyl)oxane-2,4,5-triol has a molecular weight of 532.37 g/mol, XLogP of 3.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R,6S)-3-iodo-6-(trityloxymethyl)oxane-2,4,5-triol is sourced from PubChem (CID 171122589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).