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

C19H34N2O10 — CID 59364476

IUPAC[(2S,3R,4S,6R)-4,6-dimethoxy-2-methyloxan-3-yl]carbamoyloxymethyl N-[(2S,3R,4S,6R)-4,6-dimethoxy-2-methyloxan-3-yl]carbamate
SMILESCO[C@H]1C[C@H](OC)[C@H](NC(=O)OCOC(=O)N[C@@H]2[C@H](C)O[C@@H](OC)C[C@@H]2OC)[C@H](C)O1
InChIInChI=1S/C19H34N2O10/c1-10-16(12(24-3)7-14(26-5)30-10)20-18(22)28-9-29-19(23)21-17-11(2)31-15(27-6)8-13(17)25-4/h10-17H,7-9H2,1-6H3,(H,20,22)(H,21,23)/t10-,11-,12-,13-,14+,15+,16+,17+/m0/s1
InChIKeyNEEHHKSJCVVYGD-MPVNCORWSA-N
MW450.49 g/mol
LogP0.73
Rot. Bonds8

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

[(2S,3R,4S,6R)-4,6-dimethoxy-2-methyloxan-3-yl]carbamoyloxymethyl N-[(2S,3R,4S,6R)-4,6-dimethoxy-2-methyloxan-3-yl]carbamate (PubChem CID 59364476) has the molecular formula C19H34N2O10 and a molecular weight of 450.49 g/mol. Its IUPAC name is [(2S,3R,4S,6R)-4,6-dimethoxy-2-methyloxan-3-yl]carbamoyloxymethyl N-[(2S,3R,4S,6R)-4,6-dimethoxy-2-methyloxan-3-yl]carbamate.

Molecular Properties

Compound Name[(2S,3R,4S,6R)-4,6-dimethoxy-2-methyloxan-3-yl]carbamoyloxymethyl N-[(2S,3R,4S,6R)-4,6-dimethoxy-2-methyloxan-3-yl]carbamate
PubChem CID59364476
Molecular FormulaC19H34N2O10
Molecular Weight450.49 g/mol
Exact Mass450.22
IUPAC Name[(2S,3R,4S,6R)-4,6-dimethoxy-2-methyloxan-3-yl]carbamoyloxymethyl N-[(2S,3R,4S,6R)-4,6-dimethoxy-2-methyloxan-3-yl]carbamate
SMILESCO[C@H]1C[C@H](OC)[C@H](NC(=O)OCOC(=O)N[C@@H]2[C@H](C)O[C@@H](OC)C[C@@H]2OC)[C@H](C)O1
InChIInChI=1S/C19H34N2O10/c1-10-16(12(24-3)7-14(26-5)30-10)20-18(22)28-9-29-19(23)21-17-11(2)31-15(27-6)8-13(17)25-4/h10-17H,7-9H2,1-6H3,(H,20,22)(H,21,23)/t10-,11-,12-,13-,14+,15+,16+,17+/m0/s1
InChIKeyNEEHHKSJCVVYGD-MPVNCORWSA-N
XLogP0.73
TPSA132.04 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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,6R)-4,6-dimethoxy-2-methyloxan-3-yl]carbamoyloxymethyl N-[(2S,3R,4S,6R)-4,6-dimethoxy-2-methyloxan-3-yl]carbamate?
The IUPAC name of [(2S,3R,4S,6R)-4,6-dimethoxy-2-methyloxan-3-yl]carbamoyloxymethyl N-[(2S,3R,4S,6R)-4,6-dimethoxy-2-methyloxan-3-yl]carbamate (CID 59364476) is [(2S,3R,4S,6R)-4,6-dimethoxy-2-methyloxan-3-yl]carbamoyloxymethyl N-[(2S,3R,4S,6R)-4,6-dimethoxy-2-methyloxan-3-yl]carbamate.
What is the SMILES notation for [(2S,3R,4S,6R)-4,6-dimethoxy-2-methyloxan-3-yl]carbamoyloxymethyl N-[(2S,3R,4S,6R)-4,6-dimethoxy-2-methyloxan-3-yl]carbamate?
The canonical SMILES for [(2S,3R,4S,6R)-4,6-dimethoxy-2-methyloxan-3-yl]carbamoyloxymethyl N-[(2S,3R,4S,6R)-4,6-dimethoxy-2-methyloxan-3-yl]carbamate is CO[C@H]1C[C@H](OC)[C@H](NC(=O)OCOC(=O)N[C@@H]2[C@H](C)O[C@@H](OC)C[C@@H]2OC)[C@H](C)O1.
What is the InChIKey of [(2S,3R,4S,6R)-4,6-dimethoxy-2-methyloxan-3-yl]carbamoyloxymethyl N-[(2S,3R,4S,6R)-4,6-dimethoxy-2-methyloxan-3-yl]carbamate?
The InChIKey is NEEHHKSJCVVYGD-MPVNCORWSA-N. The full InChI is InChI=1S/C19H34N2O10/c1-10-16(12(24-3)7-14(26-5)30-10)20-18(22)28-9-29-19(23)21-17-11(2)31-15(27-6)8-13(17)25-4/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,6R)-4,6-dimethoxy-2-methyloxan-3-yl]carbamoyloxymethyl N-[(2S,3R,4S,6R)-4,6-dimethoxy-2-methyloxan-3-yl]carbamate?
[(2S,3R,4S,6R)-4,6-dimethoxy-2-methyloxan-3-yl]carbamoyloxymethyl N-[(2S,3R,4S,6R)-4,6-dimethoxy-2-methyloxan-3-yl]carbamate has a molecular weight of 450.49 g/mol, XLogP of 0.73, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4S,6R)-4,6-dimethoxy-2-methyloxan-3-yl]carbamoyloxymethyl N-[(2S,3R,4S,6R)-4,6-dimethoxy-2-methyloxan-3-yl]carbamate is sourced from PubChem (CID 59364476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).