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

C10H19NO6 — CID 70949660

IUPAC[(2R,4S,5R)-4-hydroxy-2,5-dimethoxy-6,6-dimethyloxan-3-yl] carbamate
SMILESCO[C@@H]1OC(C)(C)[C@H](OC)[C@H](O)C1OC(N)=O
InChIInChI=1S/C10H19NO6/c1-10(2)7(14-3)5(12)6(16-9(11)13)8(15-4)17-10/h5-8,12H,1-4H3,(H2,11,13)/t5-,6?,7-,8-/m1/s1
InChIKeyAZMZUHKFRCWZQN-NIVRMLGLSA-N
MW249.26 g/mol
LogP-0.39
Rot. Bonds3

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

[(2R,4S,5R)-4-hydroxy-2,5-dimethoxy-6,6-dimethyloxan-3-yl] carbamate (PubChem CID 70949660) has the molecular formula C10H19NO6 and a molecular weight of 249.26 g/mol. Its IUPAC name is [(2R,4S,5R)-4-hydroxy-2,5-dimethoxy-6,6-dimethyloxan-3-yl] carbamate.

Molecular Properties

Compound Name[(2R,4S,5R)-4-hydroxy-2,5-dimethoxy-6,6-dimethyloxan-3-yl] carbamate
PubChem CID70949660
Molecular FormulaC10H19NO6
Molecular Weight249.26 g/mol
Exact Mass249.12
IUPAC Name[(2R,4S,5R)-4-hydroxy-2,5-dimethoxy-6,6-dimethyloxan-3-yl] carbamate
SMILESCO[C@@H]1OC(C)(C)[C@H](OC)[C@H](O)C1OC(N)=O
InChIInChI=1S/C10H19NO6/c1-10(2)7(14-3)5(12)6(16-9(11)13)8(15-4)17-10/h5-8,12H,1-4H3,(H2,11,13)/t5-,6?,7-,8-/m1/s1
InChIKeyAZMZUHKFRCWZQN-NIVRMLGLSA-N
XLogP-0.39
TPSA100.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-hydroxy-5-methoxy-6,6-dimethyl-2-[(2-oxo-3,4-dihydrochromen-8-yl)oxy]oxan-3-yl] carbamate
CID 146385336
[(3S,4S,5R)-4-hydroxy-5-methoxy-6,6-dimethyl-2-(2-oxochromen-7-yl)oxyoxan-3-yl] carbamate
CID 88582950
[(2R,4S,5R)-2-(3-acetamido-2-oxochromen-7-yl)oxy-4-hydroxy-5-methoxy-6,6-dimethyloxan-3-yl] carbamate
CID 89138136
[(3R,4S,5R,6R)-6-[3-[2-(2,6-dimethoxyphenyl)-2-oxoethyl]-4-hydroxy-8-methyl-2-oxochromen-7-yl]oxy-5-hydroxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate
CID 158387393
[(3S,4R,5S,6R)-4,5,6-trihydroxy-2,2-dimethyloxan-3-yl] 2-methylpropanoate
CID 58925626
(3S,4R,5R)-2-methoxy-5,6,6-trimethyloxane-3,4-diol
CID 58214742
(3-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl) carbamate
CID 154161805
[(2R,3R,4R,6S)-2,3-dimethoxy-4,6-dimethyloxan-4-yl] carbamate
CID 11736444
[(3R,4S,5R,6R)-5-hydroxy-6-[3-(1H-indole-2-carbonylamino)-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate
CID 71770546
[(3R,4S,5R,6R)-6-[3-(cyclopentanecarbonylamino)-4-hydroxy-8-methyl-2-oxochromen-7-yl]oxy-5-hydroxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate
CID 71770548
[(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-8-methyl-3-[(5-methyl-1H-pyrrole-2-carbonyl)amino]-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate
CID 71770671
[(4R,5S)-5-hydroxy-6-[3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate
CID 118343786

Frequently Asked Questions

What is the IUPAC name of [(2R,4S,5R)-4-hydroxy-2,5-dimethoxy-6,6-dimethyloxan-3-yl] carbamate?
The IUPAC name of [(2R,4S,5R)-4-hydroxy-2,5-dimethoxy-6,6-dimethyloxan-3-yl] carbamate (CID 70949660) is [(2R,4S,5R)-4-hydroxy-2,5-dimethoxy-6,6-dimethyloxan-3-yl] carbamate.
What is the SMILES notation for [(2R,4S,5R)-4-hydroxy-2,5-dimethoxy-6,6-dimethyloxan-3-yl] carbamate?
The canonical SMILES for [(2R,4S,5R)-4-hydroxy-2,5-dimethoxy-6,6-dimethyloxan-3-yl] carbamate is CO[C@@H]1OC(C)(C)[C@H](OC)[C@H](O)C1OC(N)=O.
What is the InChIKey of [(2R,4S,5R)-4-hydroxy-2,5-dimethoxy-6,6-dimethyloxan-3-yl] carbamate?
The InChIKey is AZMZUHKFRCWZQN-NIVRMLGLSA-N. The full InChI is InChI=1S/C10H19NO6/c1-10(2)7(14-3)5(12)6(16-9(11)13)8(15-4)17-10/h5-8,12H,1-4H3,(H2,11,13)/t5-,6?,7-,8-/m1/s1.
What are the key properties of [(2R,4S,5R)-4-hydroxy-2,5-dimethoxy-6,6-dimethyloxan-3-yl] carbamate?
[(2R,4S,5R)-4-hydroxy-2,5-dimethoxy-6,6-dimethyloxan-3-yl] carbamate has a molecular weight of 249.26 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S,5R)-4-hydroxy-2,5-dimethoxy-6,6-dimethyloxan-3-yl] carbamate is sourced from PubChem (CID 70949660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).