(4R,5R)-3-azido-4,5-dimethoxy-2-methyl-6-(naphthalen-2-ylmethoxymethyl)oxane

C20H25N3O4 — CID 58678969

IUPAC(4R,5R)-3-azido-4,5-dimethoxy-2-methyl-6-(naphthalen-2-ylmethoxymethyl)oxane
SMILESCO[C@@H]1C(N=[N+]=[N-])C(C)OC(COCc2ccc3ccccc3c2)[C@@H]1OC
InChIInChI=1S/C20H25N3O4/c1-13-18(22-23-21)20(25-3)19(24-2)17(27-13)12-26-11-14-8-9-15-6-4-5-7-16(15)10-14/h4-10,13,17-20H,11-12H2,1-3H3/t13?,17?,18?,19-,20+/m0/s1
InChIKeyZYMVXKOAMZQOCQ-LFVKUFIWSA-N
MW371.44 g/mol
LogP3.85
Rot. Bonds7

About (4R,5R)-3-azido-4,5-dimethoxy-2-methyl-6-(naphthalen-2-ylmethoxymethyl)oxane

(4R,5R)-3-azido-4,5-dimethoxy-2-methyl-6-(naphthalen-2-ylmethoxymethyl)oxane (PubChem CID 58678969) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is (4R,5R)-3-azido-4,5-dimethoxy-2-methyl-6-(naphthalen-2-ylmethoxymethyl)oxane.

Molecular Properties

Compound Name(4R,5R)-3-azido-4,5-dimethoxy-2-methyl-6-(naphthalen-2-ylmethoxymethyl)oxane
PubChem CID58678969
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name(4R,5R)-3-azido-4,5-dimethoxy-2-methyl-6-(naphthalen-2-ylmethoxymethyl)oxane
SMILESCO[C@@H]1C(N=[N+]=[N-])C(C)OC(COCc2ccc3ccccc3c2)[C@@H]1OC
InChIInChI=1S/C20H25N3O4/c1-13-18(22-23-21)20(25-3)19(24-2)17(27-13)12-26-11-14-8-9-15-6-4-5-7-16(15)10-14/h4-10,13,17-20H,11-12H2,1-3H3/t13?,17?,18?,19-,20+/m0/s1
InChIKeyZYMVXKOAMZQOCQ-LFVKUFIWSA-N
XLogP3.85
TPSA85.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(4R,5S)-3-azido-5-[(4-methoxyphenyl)methoxy]-2-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 159428449
(3R,4S)-5-azido-2-[(4-methoxyphenyl)methoxymethyl]-3,4,6-trimethyloxane
CID 58183798
4-azido-2-methyl-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 3720438
(3S,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-(naphthalen-2-ylmethoxy)oxan-4-ol
CID 70996996
(2S,3S,4S,5R,6R)-2-azido-6-[(4-methoxyphenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxane
CID 71613692
(2R,3S,4S,5R)-4-azido-5,6-dimethoxy-2-[(4-methoxyphenyl)methoxymethyl]oxan-3-ol
CID 56632277
(2R,3R,4R,5R,6R)-4-azido-5,6-dimethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 10448864
(3R,4R,5S,6R)-3-azido-4,5-bis[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]oxan-2-ol
CID 91184934
(2R,3R,4R,5S,6S)-5-azido-2,3-dimethoxy-6-methyl-4-phenylmethoxyoxane
CID 101086007
(2R,3R,4R,5S,6R)-3-azido-2-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 101090919
(3R,4R,6R)-5-azido-6-methoxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 59621111
(3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-ol
CID 58679019

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-3-azido-4,5-dimethoxy-2-methyl-6-(naphthalen-2-ylmethoxymethyl)oxane?
The IUPAC name of (4R,5R)-3-azido-4,5-dimethoxy-2-methyl-6-(naphthalen-2-ylmethoxymethyl)oxane (CID 58678969) is (4R,5R)-3-azido-4,5-dimethoxy-2-methyl-6-(naphthalen-2-ylmethoxymethyl)oxane.
What is the SMILES notation for (4R,5R)-3-azido-4,5-dimethoxy-2-methyl-6-(naphthalen-2-ylmethoxymethyl)oxane?
The canonical SMILES for (4R,5R)-3-azido-4,5-dimethoxy-2-methyl-6-(naphthalen-2-ylmethoxymethyl)oxane is CO[C@@H]1C(N=[N+]=[N-])C(C)OC(COCc2ccc3ccccc3c2)[C@@H]1OC.
What is the InChIKey of (4R,5R)-3-azido-4,5-dimethoxy-2-methyl-6-(naphthalen-2-ylmethoxymethyl)oxane?
The InChIKey is ZYMVXKOAMZQOCQ-LFVKUFIWSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-13-18(22-23-21)20(25-3)19(24-2)17(27-13)12-26-11-14-8-9-15-6-4-5-7-16(15)10-14/h4-10,13,17-20H,11-12H2,1-3H3/t13?,17?,18?,19-,20+/m0/s1.
What are the key properties of (4R,5R)-3-azido-4,5-dimethoxy-2-methyl-6-(naphthalen-2-ylmethoxymethyl)oxane?
(4R,5R)-3-azido-4,5-dimethoxy-2-methyl-6-(naphthalen-2-ylmethoxymethyl)oxane has a molecular weight of 371.44 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-3-azido-4,5-dimethoxy-2-methyl-6-(naphthalen-2-ylmethoxymethyl)oxane is sourced from PubChem (CID 58678969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).