benzyl N-[(4aS,6R,8S,8aR)-8-methoxy-6-[[(2R)-5-methoxyoxolan-2-yl]methyl]-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]carbamate

C24H35NO8 — CID 25105156

IUPACbenzyl N-[(4aS,6R,8S,8aR)-8-methoxy-6-[[(2R)-5-methoxyoxolan-2-yl]methyl]-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]carbamate
SMILESCOC1CC[C@H](C[C@H]2O[C@@H]3C(NC(=O)OCc4ccccc4)OCO[C@@H]3[C@@H](OC)C2(C)C)O1
InChIInChI=1S/C24H35NO8/c1-24(2)17(12-16-10-11-18(27-3)32-16)33-20-19(21(24)28-4)30-14-31-22(20)25-23(26)29-13-15-8-6-5-7-9-15/h5-9,16-22H,10-14H2,1-4H3,(H,25,26)/t16-,17-,18?,19+,20+,21-,22?/m1/s1
InChIKeyVCNRJCNNCAGCIR-HRERUNLWSA-N
MW465.54 g/mol
LogP2.96
Rot. Bonds7

About benzyl N-[(4aS,6R,8S,8aR)-8-methoxy-6-[[(2R)-5-methoxyoxolan-2-yl]methyl]-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]carbamate

benzyl N-[(4aS,6R,8S,8aR)-8-methoxy-6-[[(2R)-5-methoxyoxolan-2-yl]methyl]-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]carbamate (PubChem CID 25105156) has the molecular formula C24H35NO8 and a molecular weight of 465.54 g/mol. Its IUPAC name is benzyl N-[(4aS,6R,8S,8aR)-8-methoxy-6-[[(2R)-5-methoxyoxolan-2-yl]methyl]-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(4aS,6R,8S,8aR)-8-methoxy-6-[[(2R)-5-methoxyoxolan-2-yl]methyl]-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]carbamate
PubChem CID25105156
Molecular FormulaC24H35NO8
Molecular Weight465.54 g/mol
Exact Mass465.24
IUPAC Namebenzyl N-[(4aS,6R,8S,8aR)-8-methoxy-6-[[(2R)-5-methoxyoxolan-2-yl]methyl]-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]carbamate
SMILESCOC1CC[C@H](C[C@H]2O[C@@H]3C(NC(=O)OCc4ccccc4)OCO[C@@H]3[C@@H](OC)C2(C)C)O1
InChIInChI=1S/C24H35NO8/c1-24(2)17(12-16-10-11-18(27-3)32-16)33-20-19(21(24)28-4)30-14-31-22(20)25-23(26)29-13-15-8-6-5-7-9-15/h5-9,16-22H,10-14H2,1-4H3,(H,25,26)/t16-,17-,18?,19+,20+,21-,22?/m1/s1
InChIKeyVCNRJCNNCAGCIR-HRERUNLWSA-N
XLogP2.96
TPSA93.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze benzyl N-[(4aS,6R,8S,8aR)-8-methoxy-6-[[(2R)-5-methoxyoxolan-2-yl]methyl]-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(4aS,6R,8S,8aR)-8-methoxy-6-[[(2R)-5-methoxyoxolan-2-yl]methyl]-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]carbamate?
The IUPAC name of benzyl N-[(4aS,6R,8S,8aR)-8-methoxy-6-[[(2R)-5-methoxyoxolan-2-yl]methyl]-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]carbamate (CID 25105156) is benzyl N-[(4aS,6R,8S,8aR)-8-methoxy-6-[[(2R)-5-methoxyoxolan-2-yl]methyl]-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]carbamate.
What is the SMILES notation for benzyl N-[(4aS,6R,8S,8aR)-8-methoxy-6-[[(2R)-5-methoxyoxolan-2-yl]methyl]-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]carbamate?
The canonical SMILES for benzyl N-[(4aS,6R,8S,8aR)-8-methoxy-6-[[(2R)-5-methoxyoxolan-2-yl]methyl]-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]carbamate is COC1CC[C@H](C[C@H]2O[C@@H]3C(NC(=O)OCc4ccccc4)OCO[C@@H]3[C@@H](OC)C2(C)C)O1.
What is the InChIKey of benzyl N-[(4aS,6R,8S,8aR)-8-methoxy-6-[[(2R)-5-methoxyoxolan-2-yl]methyl]-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]carbamate?
The InChIKey is VCNRJCNNCAGCIR-HRERUNLWSA-N. The full InChI is InChI=1S/C24H35NO8/c1-24(2)17(12-16-10-11-18(27-3)32-16)33-20-19(21(24)28-4)30-14-31-22(20)25-23(26)29-13-15-8-6-5-7-9-15/h5-9,16-22H,10-14H2,1-4H3,(H,25,26)/t16-,17-,18?,19+,20+,21-,22?/m1/s1.
What are the key properties of benzyl N-[(4aS,6R,8S,8aR)-8-methoxy-6-[[(2R)-5-methoxyoxolan-2-yl]methyl]-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]carbamate?
benzyl N-[(4aS,6R,8S,8aR)-8-methoxy-6-[[(2R)-5-methoxyoxolan-2-yl]methyl]-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]carbamate has a molecular weight of 465.54 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(4aS,6R,8S,8aR)-8-methoxy-6-[[(2R)-5-methoxyoxolan-2-yl]methyl]-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]carbamate is sourced from PubChem (CID 25105156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).