[(2R,3R,4R,6S)-2,3-dimethoxy-4,6-dimethyloxan-4-yl] carbamate

C10H19NO5 — CID 11736444

IUPAC[(2R,3R,4R,6S)-2,3-dimethoxy-4,6-dimethyloxan-4-yl] carbamate
SMILESCO[C@@H]1O[C@@H](C)C[C@@](C)(OC(N)=O)[C@H]1OC
InChIInChI=1S/C10H19NO5/c1-6-5-10(2,16-9(11)12)7(13-3)8(14-4)15-6/h6-8H,5H2,1-4H3,(H2,11,12)/t6-,7-,8+,10+/m0/s1
InChIKeyIBVRBTOVACJIOO-QHOPCYEYSA-N
MW233.26 g/mol
LogP0.64
Rot. Bonds3

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

[(2R,3R,4R,6S)-2,3-dimethoxy-4,6-dimethyloxan-4-yl] carbamate (PubChem CID 11736444) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is [(2R,3R,4R,6S)-2,3-dimethoxy-4,6-dimethyloxan-4-yl] carbamate.

Molecular Properties

Compound Name[(2R,3R,4R,6S)-2,3-dimethoxy-4,6-dimethyloxan-4-yl] carbamate
PubChem CID11736444
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name[(2R,3R,4R,6S)-2,3-dimethoxy-4,6-dimethyloxan-4-yl] carbamate
SMILESCO[C@@H]1O[C@@H](C)C[C@@](C)(OC(N)=O)[C@H]1OC
InChIInChI=1S/C10H19NO5/c1-6-5-10(2,16-9(11)12)7(13-3)8(14-4)15-6/h6-8H,5H2,1-4H3,(H2,11,12)/t6-,7-,8+,10+/m0/s1
InChIKeyIBVRBTOVACJIOO-QHOPCYEYSA-N
XLogP0.64
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,6S)-2,3-dimethoxy-4,6-dimethyloxan-4-yl] carbamate?
The IUPAC name of [(2R,3R,4R,6S)-2,3-dimethoxy-4,6-dimethyloxan-4-yl] carbamate (CID 11736444) is [(2R,3R,4R,6S)-2,3-dimethoxy-4,6-dimethyloxan-4-yl] carbamate.
What is the SMILES notation for [(2R,3R,4R,6S)-2,3-dimethoxy-4,6-dimethyloxan-4-yl] carbamate?
The canonical SMILES for [(2R,3R,4R,6S)-2,3-dimethoxy-4,6-dimethyloxan-4-yl] carbamate is CO[C@@H]1O[C@@H](C)C[C@@](C)(OC(N)=O)[C@H]1OC.
What is the InChIKey of [(2R,3R,4R,6S)-2,3-dimethoxy-4,6-dimethyloxan-4-yl] carbamate?
The InChIKey is IBVRBTOVACJIOO-QHOPCYEYSA-N. The full InChI is InChI=1S/C10H19NO5/c1-6-5-10(2,16-9(11)12)7(13-3)8(14-4)15-6/h6-8H,5H2,1-4H3,(H2,11,12)/t6-,7-,8+,10+/m0/s1.
What are the key properties of [(2R,3R,4R,6S)-2,3-dimethoxy-4,6-dimethyloxan-4-yl] carbamate?
[(2R,3R,4R,6S)-2,3-dimethoxy-4,6-dimethyloxan-4-yl] carbamate has a molecular weight of 233.26 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,6S)-2,3-dimethoxy-4,6-dimethyloxan-4-yl] carbamate is sourced from PubChem (CID 11736444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).