methyl (2S,3S,4R,5R)-2,3,4-triacetyloxy-5-(trityloxymethyl)oxolane-2-carboxylate

C32H32O10 — CID 101389900

IUPACmethyl (2S,3S,4R,5R)-2,3,4-triacetyloxy-5-(trityloxymethyl)oxolane-2-carboxylate
SMILESCOC(=O)[C@]1(OC(C)=O)O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C32H32O10/c1-21(33)39-28-27(42-32(30(36)37-4,41-23(3)35)29(28)40-22(2)34)20-38-31(24-14-8-5-9-15-24,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,27-29H,20H2,1-4H3/t27-,28-,29+,32-/m1/s1
InChIKeyNQIGZXCWIRVVPR-YZALVSPHSA-N
MW576.60 g/mol
LogP3.69
Rot. Bonds10

About methyl (2S,3S,4R,5R)-2,3,4-triacetyloxy-5-(trityloxymethyl)oxolane-2-carboxylate

methyl (2S,3S,4R,5R)-2,3,4-triacetyloxy-5-(trityloxymethyl)oxolane-2-carboxylate (PubChem CID 101389900) has the molecular formula C32H32O10 and a molecular weight of 576.60 g/mol. Its IUPAC name is methyl (2S,3S,4R,5R)-2,3,4-triacetyloxy-5-(trityloxymethyl)oxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3S,4R,5R)-2,3,4-triacetyloxy-5-(trityloxymethyl)oxolane-2-carboxylate
PubChem CID101389900
Molecular FormulaC32H32O10
Molecular Weight576.60 g/mol
Exact Mass576.20
IUPAC Namemethyl (2S,3S,4R,5R)-2,3,4-triacetyloxy-5-(trityloxymethyl)oxolane-2-carboxylate
SMILESCOC(=O)[C@]1(OC(C)=O)O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C32H32O10/c1-21(33)39-28-27(42-32(30(36)37-4,41-23(3)35)29(28)40-22(2)34)20-38-31(24-14-8-5-9-15-24,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,27-29H,20H2,1-4H3/t27-,28-,29+,32-/m1/s1
InChIKeyNQIGZXCWIRVVPR-YZALVSPHSA-N
XLogP3.69
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.60
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze methyl (2S,3S,4R,5R)-2,3,4-triacetyloxy-5-(trityloxymethyl)oxolane-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S,7R)-1-((R)-4-Acetoxy-5-methyl-3-methylene-6-phenyl-hexyl)-6-((E)-(4S,6S)-4,6-dimethyl-oct-2-enoyloxy)-4,7-dihydroxy-2,8-dioxa-bicyclo[3.2.1]octane-3,4,5-tricarboxylic acid 3-benzyl ester
CID 44355861
(1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-6-phenyl-hexyl)-6-benzoyloxy-4,7-dihydroxy-2,8-dioxa-bicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
CID 460626
(3R,4S,5R,6R)-3,4,5-Tris(benzyloxy)-6-((benzyloxy)methyl)oxan-2-one
CID 10907626
(3R,4R,5R)-3,4-bis(benzyloxy)-5-((benzyloxy)methyl)dihydrofuran-2(3H)-one
CID 11004289
Dimethyl 3,5-diphenyltetrahydro-2,4-furandicarboxylate
CID 11836756
benzyl 2-[[(1S,2S,4R,7E,9S,11S)-4,8-dimethyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-9-yl]oxy]-2-phenylacetate
CID 127049142
(S)-5-((Trityloxy)methyl)dihydrofuran-2(3H)-one
CID 2733809
benzyl (2R)-2-[(3S,3aS,4R,5S,7S,7aR)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]-2-hydroxyacetate
CID 45482099
benzyl (2S)-2-[(3S,3aS,4R,5S,7S,7aR)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]-2-hydroxyacetate
CID 45482100
[(2R,3R,4aR,8S,8aS)-2,3-dimethoxy-2,3-dimethyl-5-oxo-8-[(4-phenylphenyl)methoxy]-8,8a-dihydro-4aH-1,4-benzodioxin-6-yl]methyl acetate
CID 56926917
benzyl 2-[[(1S,2R,4R,9S,11S)-4,8-dimethyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-9-yl]oxy]-2-phenylacetate
CID 145967946
2-Phenyl-2-propyl glucuronide
CID 194731

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S,4R,5R)-2,3,4-triacetyloxy-5-(trityloxymethyl)oxolane-2-carboxylate?
The IUPAC name of methyl (2S,3S,4R,5R)-2,3,4-triacetyloxy-5-(trityloxymethyl)oxolane-2-carboxylate (CID 101389900) is methyl (2S,3S,4R,5R)-2,3,4-triacetyloxy-5-(trityloxymethyl)oxolane-2-carboxylate.
What is the SMILES notation for methyl (2S,3S,4R,5R)-2,3,4-triacetyloxy-5-(trityloxymethyl)oxolane-2-carboxylate?
The canonical SMILES for methyl (2S,3S,4R,5R)-2,3,4-triacetyloxy-5-(trityloxymethyl)oxolane-2-carboxylate is COC(=O)[C@]1(OC(C)=O)O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.
What is the InChIKey of methyl (2S,3S,4R,5R)-2,3,4-triacetyloxy-5-(trityloxymethyl)oxolane-2-carboxylate?
The InChIKey is NQIGZXCWIRVVPR-YZALVSPHSA-N. The full InChI is InChI=1S/C32H32O10/c1-21(33)39-28-27(42-32(30(36)37-4,41-23(3)35)29(28)40-22(2)34)20-38-31(24-14-8-5-9-15-24,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,27-29H,20H2,1-4H3/t27-,28-,29+,32-/m1/s1.
What are the key properties of methyl (2S,3S,4R,5R)-2,3,4-triacetyloxy-5-(trityloxymethyl)oxolane-2-carboxylate?
methyl (2S,3S,4R,5R)-2,3,4-triacetyloxy-5-(trityloxymethyl)oxolane-2-carboxylate has a molecular weight of 576.60 g/mol, XLogP of 3.69, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S,4R,5R)-2,3,4-triacetyloxy-5-(trityloxymethyl)oxolane-2-carboxylate is sourced from PubChem (CID 101389900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).