ethyl N-[(3aR,6R,6aR)-2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]carbamate

C30H33NO6 — CID 66649488

IUPACethyl N-[(3aR,6R,6aR)-2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]carbamate
SMILESCCOC(=O)NC1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C30H33NO6/c1-4-33-28(32)31-27-26-25(36-29(2,3)37-26)24(35-27)20-34-30(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-19,24-27H,4,20H2,1-3H3,(H,31,32)/t24-,25-,26-,27?/m1/s1
InChIKeyHALGSISGLRJFSV-YGENNMJRSA-N
MW503.60 g/mol
LogP4.99
Rot. Bonds8

About ethyl N-[(3aR,6R,6aR)-2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]carbamate

ethyl N-[(3aR,6R,6aR)-2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]carbamate (PubChem CID 66649488) has the molecular formula C30H33NO6 and a molecular weight of 503.60 g/mol. Its IUPAC name is ethyl N-[(3aR,6R,6aR)-2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(3aR,6R,6aR)-2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]carbamate
PubChem CID66649488
Molecular FormulaC30H33NO6
Molecular Weight503.60 g/mol
Exact Mass503.23
IUPAC Nameethyl N-[(3aR,6R,6aR)-2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]carbamate
SMILESCCOC(=O)NC1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C30H33NO6/c1-4-33-28(32)31-27-26-25(36-29(2,3)37-26)24(35-27)20-34-30(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-19,24-27H,4,20H2,1-3H3,(H,31,32)/t24-,25-,26-,27?/m1/s1
InChIKeyHALGSISGLRJFSV-YGENNMJRSA-N
XLogP4.99
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.60
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl N-[(3aR,6R,6aR)-2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3aR,6R,6aR)-2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]carbamate?
The IUPAC name of ethyl N-[(3aR,6R,6aR)-2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]carbamate (CID 66649488) is ethyl N-[(3aR,6R,6aR)-2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]carbamate.
What is the SMILES notation for ethyl N-[(3aR,6R,6aR)-2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]carbamate?
The canonical SMILES for ethyl N-[(3aR,6R,6aR)-2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]carbamate is CCOC(=O)NC1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]2OC(C)(C)O[C@@H]12.
What is the InChIKey of ethyl N-[(3aR,6R,6aR)-2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]carbamate?
The InChIKey is HALGSISGLRJFSV-YGENNMJRSA-N. The full InChI is InChI=1S/C30H33NO6/c1-4-33-28(32)31-27-26-25(36-29(2,3)37-26)24(35-27)20-34-30(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-19,24-27H,4,20H2,1-3H3,(H,31,32)/t24-,25-,26-,27?/m1/s1.
What are the key properties of ethyl N-[(3aR,6R,6aR)-2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]carbamate?
ethyl N-[(3aR,6R,6aR)-2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]carbamate has a molecular weight of 503.60 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3aR,6R,6aR)-2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]carbamate is sourced from PubChem (CID 66649488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).