[(3R,6R)-5-amino-6-methoxy-3,4-dimethyloxan-2-yl]methanol

C9H19NO3 — CID 59893568

IUPAC[(3R,6R)-5-amino-6-methoxy-3,4-dimethyloxan-2-yl]methanol
SMILESCO[C@@H]1OC(CO)[C@H](C)C(C)C1N
InChIInChI=1S/C9H19NO3/c1-5-6(2)8(10)9(12-3)13-7(5)4-11/h5-9,11H,4,10H2,1-3H3/t5-,6?,7?,8?,9-/m1/s1
InChIKeyDLOVDFVIOMBROL-NHMDFMCYSA-N
MW189.25 g/mol
LogP-0.05
Rot. Bonds2

About [(3R,6R)-5-amino-6-methoxy-3,4-dimethyloxan-2-yl]methanol

[(3R,6R)-5-amino-6-methoxy-3,4-dimethyloxan-2-yl]methanol (PubChem CID 59893568) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is [(3R,6R)-5-amino-6-methoxy-3,4-dimethyloxan-2-yl]methanol.

Molecular Properties

Compound Name[(3R,6R)-5-amino-6-methoxy-3,4-dimethyloxan-2-yl]methanol
PubChem CID59893568
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name[(3R,6R)-5-amino-6-methoxy-3,4-dimethyloxan-2-yl]methanol
SMILESCO[C@@H]1OC(CO)[C@H](C)C(C)C1N
InChIInChI=1S/C9H19NO3/c1-5-6(2)8(10)9(12-3)13-7(5)4-11/h5-9,11H,4,10H2,1-3H3/t5-,6?,7?,8?,9-/m1/s1
InChIKeyDLOVDFVIOMBROL-NHMDFMCYSA-N
XLogP-0.05
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R,4R,5S)-4-amino-2-(hydroxymethyl)-5-methoxyoxolan-3-ol
CID 57309160
(2R,3S,4S,5S,6R)-5-amino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 54346230
(2R,3R,4R,5R)-5-amino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 13135344
(2S,3R,4S,5S,6S)-6-(hydroxymethyl)-2-methoxy-5-methyloxane-3,4-diol
CID 162222185
[(2S,3S,5R,6R)-3-(hydroxymethyl)-5,6-dimethoxy-1,4-dioxan-2-yl]methanol
CID 166639551
(3S,4S,6R)-5-amino-2-(hydroxymethyl)-6-methoxy-3-methyloxan-4-ol;furan-2,5-dione
CID 90864816
[(2R,3S,4R,5R,6R)-5-amino-6-methoxy-3,4-bis(trimethylsilyloxy)oxan-2-yl]methanol
CID 165180262
2-[5-amino-6-[5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxy-3-methyloxan-4-ol
CID 58030369
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-methoxy-5-methyloxane-3,4-diol
CID 88976224
(3R,6R)-5-amino-2-ethyl-6-methoxy-3-methyloxan-4-ol
CID 163469681
(4R,5S)-5-amino-6-[(3R,5R,6R)-5-amino-6-[(4R,5S)-5-amino-6-[(3R,5R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 91407540
(4R,5S)-5-amino-6-[(3R,5R,6R)-5-amino-6-[(4R,5S)-5-amino-6-[(3R,5R,6R)-5-amino-6-[(4R,5S)-5-amino-6-[(3R,5R,6R)-5-amino-6-[(4R,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 90724646

Frequently Asked Questions

What is the IUPAC name of [(3R,6R)-5-amino-6-methoxy-3,4-dimethyloxan-2-yl]methanol?
The IUPAC name of [(3R,6R)-5-amino-6-methoxy-3,4-dimethyloxan-2-yl]methanol (CID 59893568) is [(3R,6R)-5-amino-6-methoxy-3,4-dimethyloxan-2-yl]methanol.
What is the SMILES notation for [(3R,6R)-5-amino-6-methoxy-3,4-dimethyloxan-2-yl]methanol?
The canonical SMILES for [(3R,6R)-5-amino-6-methoxy-3,4-dimethyloxan-2-yl]methanol is CO[C@@H]1OC(CO)[C@H](C)C(C)C1N.
What is the InChIKey of [(3R,6R)-5-amino-6-methoxy-3,4-dimethyloxan-2-yl]methanol?
The InChIKey is DLOVDFVIOMBROL-NHMDFMCYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-5-6(2)8(10)9(12-3)13-7(5)4-11/h5-9,11H,4,10H2,1-3H3/t5-,6?,7?,8?,9-/m1/s1.
What are the key properties of [(3R,6R)-5-amino-6-methoxy-3,4-dimethyloxan-2-yl]methanol?
[(3R,6R)-5-amino-6-methoxy-3,4-dimethyloxan-2-yl]methanol has a molecular weight of 189.25 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,6R)-5-amino-6-methoxy-3,4-dimethyloxan-2-yl]methanol is sourced from PubChem (CID 59893568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).