(3S,4R,5R)-3,4-dihydroxy-3-(hydroxymethyl)-5-(trityloxymethyl)oxolan-2-one

C25H24O6 — CID 134934788

IUPAC(3S,4R,5R)-3,4-dihydroxy-3-(hydroxymethyl)-5-(trityloxymethyl)oxolan-2-one
SMILESO=C1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@@]1(O)CO
InChIInChI=1S/C25H24O6/c26-17-24(29)22(27)21(31-23(24)28)16-30-25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-22,26-27,29H,16-17H2/t21-,22-,24+/m1/s1
InChIKeyNTOJHZYRRPXWBE-AKFKNWHVSA-N
MW420.46 g/mol
LogP2.00
Rot. Bonds7

About (3S,4R,5R)-3,4-dihydroxy-3-(hydroxymethyl)-5-(trityloxymethyl)oxolan-2-one

(3S,4R,5R)-3,4-dihydroxy-3-(hydroxymethyl)-5-(trityloxymethyl)oxolan-2-one (PubChem CID 134934788) has the molecular formula C25H24O6 and a molecular weight of 420.46 g/mol. Its IUPAC name is (3S,4R,5R)-3,4-dihydroxy-3-(hydroxymethyl)-5-(trityloxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(3S,4R,5R)-3,4-dihydroxy-3-(hydroxymethyl)-5-(trityloxymethyl)oxolan-2-one
PubChem CID134934788
Molecular FormulaC25H24O6
Molecular Weight420.46 g/mol
Exact Mass420.16
IUPAC Name(3S,4R,5R)-3,4-dihydroxy-3-(hydroxymethyl)-5-(trityloxymethyl)oxolan-2-one
SMILESO=C1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@@]1(O)CO
InChIInChI=1S/C25H24O6/c26-17-24(29)22(27)21(31-23(24)28)16-30-25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-22,26-27,29H,16-17H2/t21-,22-,24+/m1/s1
InChIKeyNTOJHZYRRPXWBE-AKFKNWHVSA-N
XLogP2.00
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S,5S)-3,4-dimethyl-5-(trityloxymethyl)oxolan-2-one
CID 11632443
(3S,4R,5R)-3,4-dimethyl-5-(trityloxymethyl)oxolan-2-one
CID 10949057
2-(trityloxymethyl)oxane-3,4,5-triol
CID 73104798
(2S,3R,4R)-2-(trityloxymethyl)oxolane-3,4-diol
CID 101240446
(2S,4S,5R)-5-(trityloxymethyl)oxolane-2,4-diol
CID 171126516
(3S,5S)-3-hydroxy-5-(trityloxymethyl)oxolan-2-one
CID 15478722
(3R,4S,5R,6R)-3-benzyl-2,4-bis(phenylmethoxy)-6-(trityloxymethyl)oxane-3,5-diol
CID 154508744
2-phenyl-3-(trityloxymethyl)oxirane
CID 23443485
2-(trityloxymethyl)oxane-3,4-diol
CID 85275479
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
(2R,3R,4R,5R,6S)-3-iodo-6-(trityloxymethyl)oxane-2,4,5-triol
CID 171122589

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-3,4-dihydroxy-3-(hydroxymethyl)-5-(trityloxymethyl)oxolan-2-one?
The IUPAC name of (3S,4R,5R)-3,4-dihydroxy-3-(hydroxymethyl)-5-(trityloxymethyl)oxolan-2-one (CID 134934788) is (3S,4R,5R)-3,4-dihydroxy-3-(hydroxymethyl)-5-(trityloxymethyl)oxolan-2-one.
What is the SMILES notation for (3S,4R,5R)-3,4-dihydroxy-3-(hydroxymethyl)-5-(trityloxymethyl)oxolan-2-one?
The canonical SMILES for (3S,4R,5R)-3,4-dihydroxy-3-(hydroxymethyl)-5-(trityloxymethyl)oxolan-2-one is O=C1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@@]1(O)CO.
What is the InChIKey of (3S,4R,5R)-3,4-dihydroxy-3-(hydroxymethyl)-5-(trityloxymethyl)oxolan-2-one?
The InChIKey is NTOJHZYRRPXWBE-AKFKNWHVSA-N. The full InChI is InChI=1S/C25H24O6/c26-17-24(29)22(27)21(31-23(24)28)16-30-25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-22,26-27,29H,16-17H2/t21-,22-,24+/m1/s1.
What are the key properties of (3S,4R,5R)-3,4-dihydroxy-3-(hydroxymethyl)-5-(trityloxymethyl)oxolan-2-one?
(3S,4R,5R)-3,4-dihydroxy-3-(hydroxymethyl)-5-(trityloxymethyl)oxolan-2-one has a molecular weight of 420.46 g/mol, XLogP of 2.00, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-3,4-dihydroxy-3-(hydroxymethyl)-5-(trityloxymethyl)oxolan-2-one is sourced from PubChem (CID 134934788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).