[(3S,4R,5R)-4-hydroxy-2-methoxy-5,6,6-trimethyloxan-3-yl] carbamate

C10H19NO5 — CID 58214737

IUPAC[(3S,4R,5R)-4-hydroxy-2-methoxy-5,6,6-trimethyloxan-3-yl] carbamate
SMILESCOC1OC(C)(C)[C@H](C)[C@@H](O)[C@@H]1OC(N)=O
InChIInChI=1S/C10H19NO5/c1-5-6(12)7(15-9(11)13)8(14-4)16-10(5,2)3/h5-8,12H,1-4H3,(H2,11,13)/t5-,6-,7+,8?/m1/s1
InChIKeyAMZOSBVPSBZSHH-HBFKVTOISA-N
MW233.26 g/mol
LogP0.23
Rot. Bonds2

About [(3S,4R,5R)-4-hydroxy-2-methoxy-5,6,6-trimethyloxan-3-yl] carbamate

[(3S,4R,5R)-4-hydroxy-2-methoxy-5,6,6-trimethyloxan-3-yl] carbamate (PubChem CID 58214737) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is [(3S,4R,5R)-4-hydroxy-2-methoxy-5,6,6-trimethyloxan-3-yl] carbamate.

Molecular Properties

Compound Name[(3S,4R,5R)-4-hydroxy-2-methoxy-5,6,6-trimethyloxan-3-yl] carbamate
PubChem CID58214737
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name[(3S,4R,5R)-4-hydroxy-2-methoxy-5,6,6-trimethyloxan-3-yl] carbamate
SMILESCOC1OC(C)(C)[C@H](C)[C@@H](O)[C@@H]1OC(N)=O
InChIInChI=1S/C10H19NO5/c1-5-6(12)7(15-9(11)13)8(14-4)16-10(5,2)3/h5-8,12H,1-4H3,(H2,11,13)/t5-,6-,7+,8?/m1/s1
InChIKeyAMZOSBVPSBZSHH-HBFKVTOISA-N
XLogP0.23
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S,4R,5R)-4-hydroxy-2-methoxy-5,6,6-trimethyloxan-3-yl] carbamate?
The IUPAC name of [(3S,4R,5R)-4-hydroxy-2-methoxy-5,6,6-trimethyloxan-3-yl] carbamate (CID 58214737) is [(3S,4R,5R)-4-hydroxy-2-methoxy-5,6,6-trimethyloxan-3-yl] carbamate.
What is the SMILES notation for [(3S,4R,5R)-4-hydroxy-2-methoxy-5,6,6-trimethyloxan-3-yl] carbamate?
The canonical SMILES for [(3S,4R,5R)-4-hydroxy-2-methoxy-5,6,6-trimethyloxan-3-yl] carbamate is COC1OC(C)(C)[C@H](C)[C@@H](O)[C@@H]1OC(N)=O.
What is the InChIKey of [(3S,4R,5R)-4-hydroxy-2-methoxy-5,6,6-trimethyloxan-3-yl] carbamate?
The InChIKey is AMZOSBVPSBZSHH-HBFKVTOISA-N. The full InChI is InChI=1S/C10H19NO5/c1-5-6(12)7(15-9(11)13)8(14-4)16-10(5,2)3/h5-8,12H,1-4H3,(H2,11,13)/t5-,6-,7+,8?/m1/s1.
What are the key properties of [(3S,4R,5R)-4-hydroxy-2-methoxy-5,6,6-trimethyloxan-3-yl] carbamate?
[(3S,4R,5R)-4-hydroxy-2-methoxy-5,6,6-trimethyloxan-3-yl] carbamate has a molecular weight of 233.26 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R,5R)-4-hydroxy-2-methoxy-5,6,6-trimethyloxan-3-yl] carbamate is sourced from PubChem (CID 58214737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).