(2R,3R,4S,5R)-2-decoxy-5-(trityloxymethyl)oxolane-3,4-diol

C34H44O5 — CID 153365555

IUPAC(2R,3R,4S,5R)-2-decoxy-5-(trityloxymethyl)oxolane-3,4-diol
SMILESCCCCCCCCCCO[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@H]1O
InChIInChI=1S/C34H44O5/c1-2-3-4-5-6-7-8-18-25-37-33-32(36)31(35)30(39-33)26-38-34(27-19-12-9-13-20-27,28-21-14-10-15-22-28)29-23-16-11-17-24-29/h9-17,19-24,30-33,35-36H,2-8,18,25-26H2,1H3/t30-,31-,32-,33-/m1/s1
InChIKeyJMMXQIDXFIBAAN-XEXPGFJZSA-N
MW532.72 g/mol
LogP6.60
Rot. Bonds16

About (2R,3R,4S,5R)-2-decoxy-5-(trityloxymethyl)oxolane-3,4-diol

(2R,3R,4S,5R)-2-decoxy-5-(trityloxymethyl)oxolane-3,4-diol (PubChem CID 153365555) has the molecular formula C34H44O5 and a molecular weight of 532.72 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-decoxy-5-(trityloxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-decoxy-5-(trityloxymethyl)oxolane-3,4-diol
PubChem CID153365555
Molecular FormulaC34H44O5
Molecular Weight532.72 g/mol
Exact Mass532.32
IUPAC Name(2R,3R,4S,5R)-2-decoxy-5-(trityloxymethyl)oxolane-3,4-diol
SMILESCCCCCCCCCCO[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@H]1O
InChIInChI=1S/C34H44O5/c1-2-3-4-5-6-7-8-18-25-37-33-32(36)31(35)30(39-33)26-38-34(27-19-12-9-13-20-27,28-21-14-10-15-22-28)29-23-16-11-17-24-29/h9-17,19-24,30-33,35-36H,2-8,18,25-26H2,1H3/t30-,31-,32-,33-/m1/s1
InChIKeyJMMXQIDXFIBAAN-XEXPGFJZSA-N
XLogP6.60
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.72
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(5-butoxypentoxy)oxane-3,4,5-triol
CID 164788382
4-[3,4,5-trihydroxy-6-(trityloxymethyl)oxan-2-yl]oxybutanoic acid
CID 146231174
3,4-dioctoxy-5-(trityloxymethyl)oxolan-2-ol
CID 171123112
(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
(2S,3S,4S,5S,6R)-2-phenylmethoxy-6-(trityloxymethyl)oxane-3,4,5-triol
CID 10459079
(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
(2S,3R,4S,5R)-2,3-dimethoxy-4-octadecoxy-5-(trityloxymethyl)oxolane
CID 54497199
(2R,3R,4S,5R)-2,3-dimethoxy-4-octadecoxy-5-(trityloxymethyl)oxolane
CID 13336188
2-methoxy-5-(trityloxymethyl)oxolane-3,4-diol
CID 618218
(2S,3R,4S,5R)-2-methoxy-5-(trityloxymethyl)oxolane-3,4-diol
CID 70409526
(2S,3S,4S,5S,6R)-2-methoxy-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxane-3,4,5-triol
CID 10994273

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-decoxy-5-(trityloxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-2-decoxy-5-(trityloxymethyl)oxolane-3,4-diol (CID 153365555) is (2R,3R,4S,5R)-2-decoxy-5-(trityloxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-2-decoxy-5-(trityloxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-2-decoxy-5-(trityloxymethyl)oxolane-3,4-diol is CCCCCCCCCCO[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-decoxy-5-(trityloxymethyl)oxolane-3,4-diol?
The InChIKey is JMMXQIDXFIBAAN-XEXPGFJZSA-N. The full InChI is InChI=1S/C34H44O5/c1-2-3-4-5-6-7-8-18-25-37-33-32(36)31(35)30(39-33)26-38-34(27-19-12-9-13-20-27,28-21-14-10-15-22-28)29-23-16-11-17-24-29/h9-17,19-24,30-33,35-36H,2-8,18,25-26H2,1H3/t30-,31-,32-,33-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-decoxy-5-(trityloxymethyl)oxolane-3,4-diol?
(2R,3R,4S,5R)-2-decoxy-5-(trityloxymethyl)oxolane-3,4-diol has a molecular weight of 532.72 g/mol, XLogP of 6.60, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-decoxy-5-(trityloxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 153365555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).