[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]carbamoyloxymethyl N-[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]carbamate

C19H34N2O8 — CID 59364473

IUPAC[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]carbamoyloxymethyl N-[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]carbamate
SMILESCO[C@H]1C[C@H](C)O[C@@H](C)[C@H]1NC(=O)OCOC(=O)N[C@@H]1[C@H](C)O[C@@H](C)C[C@@H]1OC
InChIInChI=1S/C19H34N2O8/c1-10-7-14(24-5)16(12(3)28-10)20-18(22)26-9-27-19(23)21-17-13(4)29-11(2)8-15(17)25-6/h10-17H,7-9H2,1-6H3,(H,20,22)(H,21,23)/t10-,11-,12-,13-,14-,15-,16+,17+/m0/s1
InChIKeyLZJKUNWYEVXUHR-RPOKEFSISA-N
MW418.49 g/mol
LogP1.56
Rot. Bonds6

About [(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]carbamoyloxymethyl N-[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]carbamate

[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]carbamoyloxymethyl N-[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]carbamate (PubChem CID 59364473) has the molecular formula C19H34N2O8 and a molecular weight of 418.49 g/mol. Its IUPAC name is [(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]carbamoyloxymethyl N-[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]carbamate.

Molecular Properties

Compound Name[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]carbamoyloxymethyl N-[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]carbamate
PubChem CID59364473
Molecular FormulaC19H34N2O8
Molecular Weight418.49 g/mol
Exact Mass418.23
IUPAC Name[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]carbamoyloxymethyl N-[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]carbamate
SMILESCO[C@H]1C[C@H](C)O[C@@H](C)[C@H]1NC(=O)OCOC(=O)N[C@@H]1[C@H](C)O[C@@H](C)C[C@@H]1OC
InChIInChI=1S/C19H34N2O8/c1-10-7-14(24-5)16(12(3)28-10)20-18(22)26-9-27-19(23)21-17-13(4)29-11(2)8-15(17)25-6/h10-17H,7-9H2,1-6H3,(H,20,22)(H,21,23)/t10-,11-,12-,13-,14-,15-,16+,17+/m0/s1
InChIKeyLZJKUNWYEVXUHR-RPOKEFSISA-N
XLogP1.56
TPSA113.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]carbamoyloxymethyl N-[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]carbamate?
The IUPAC name of [(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]carbamoyloxymethyl N-[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]carbamate (CID 59364473) is [(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]carbamoyloxymethyl N-[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]carbamate.
What is the SMILES notation for [(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]carbamoyloxymethyl N-[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]carbamate?
The canonical SMILES for [(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]carbamoyloxymethyl N-[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]carbamate is CO[C@H]1C[C@H](C)O[C@@H](C)[C@H]1NC(=O)OCOC(=O)N[C@@H]1[C@H](C)O[C@@H](C)C[C@@H]1OC.
What is the InChIKey of [(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]carbamoyloxymethyl N-[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]carbamate?
The InChIKey is LZJKUNWYEVXUHR-RPOKEFSISA-N. The full InChI is InChI=1S/C19H34N2O8/c1-10-7-14(24-5)16(12(3)28-10)20-18(22)26-9-27-19(23)21-17-13(4)29-11(2)8-15(17)25-6/h10-17H,7-9H2,1-6H3,(H,20,22)(H,21,23)/t10-,11-,12-,13-,14-,15-,16+,17+/m0/s1.
What are the key properties of [(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]carbamoyloxymethyl N-[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]carbamate?
[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]carbamoyloxymethyl N-[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]carbamate has a molecular weight of 418.49 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]carbamoyloxymethyl N-[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]carbamate is sourced from PubChem (CID 59364473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).