(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

C27H28O6 — CID 24755739

IUPAC(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
SMILESCC1O[C@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O1
InChIInChI=1S/C27H28O6/c1-18-31-25-24(29)23(28)22(33-26(25)32-18)17-30-27(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,22-26,28-29H,17H2,1H3/t18?,22-,23-,24+,25-,26+/m1/s1
InChIKeyRODINYQHCQPDQI-ZCQYBHQDSA-N
MW448.52 g/mol
LogP3.20
Rot. Bonds6

About (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

(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 (PubChem CID 24755739) has the molecular formula C27H28O6 and a molecular weight of 448.52 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID24755739
Molecular FormulaC27H28O6
Molecular Weight448.52 g/mol
Exact Mass448.19
IUPAC Name(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
SMILESCC1O[C@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O1
InChIInChI=1S/C27H28O6/c1-18-31-25-24(29)23(28)22(33-26(25)32-18)17-30-27(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,22-26,28-29H,17H2,1H3/t18?,22-,23-,24+,25-,26+/m1/s1
InChIKeyRODINYQHCQPDQI-ZCQYBHQDSA-N
XLogP3.20
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

(3aR,5R,6R)-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 155766260
(2S,3R,4S,5R)-2-methoxy-5-(trityloxymethyl)oxolane-3,4-diol
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2-methoxy-5-(trityloxymethyl)oxolane-3,4-diol
CID 618218
(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
(2R,3R,4R,5R,6S)-3-iodo-6-(trityloxymethyl)oxane-2,4,5-triol
CID 171122589
(1R,2S,4R,5S,6R)-2-methoxy-4-(trityloxymethyl)-3,7-dioxabicyclo[4.1.0]heptan-5-ol
CID 15708619
(2R,3S,4R,6S)-6-methoxy-2-(trityloxymethyl)oxane-3,4-diol
CID 11811858
2-(trityloxymethyl)oxane-3,4,5-triol
CID 73104798
(2S,3R,4S,5R)-2-methoxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolane-3,4-diol
CID 102329501
(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,3S,4S,5S,6R)-2-phenylmethoxy-6-(trityloxymethyl)oxane-3,4,5-triol
CID 10459079

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1O[C@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O1.
What is the InChIKey of (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?
The InChIKey is RODINYQHCQPDQI-ZCQYBHQDSA-N. The full InChI is InChI=1S/C27H28O6/c1-18-31-25-24(29)23(28)22(33-26(25)32-18)17-30-27(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,22-26,28-29H,17H2,1H3/t18?,22-,23-,24+,25-,26+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 448.52 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 24755739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).