(2S,3R,5S)-5-[(1R)-2-azido-1-[(4-methoxyphenyl)methoxy]ethyl]oxolane-2,3-diol

C14H19N3O5 — CID 90970942

IUPAC(2S,3R,5S)-5-[(1R)-2-azido-1-[(4-methoxyphenyl)methoxy]ethyl]oxolane-2,3-diol
SMILESCOc1ccc(CO[C@H](CN=[N+]=[N-])[C@@H]2C[C@@H](O)[C@@H](O)O2)cc1
InChIInChI=1S/C14H19N3O5/c1-20-10-4-2-9(3-5-10)8-21-13(7-16-17-15)12-6-11(18)14(19)22-12/h2-5,11-14,18-19H,6-8H2,1H3/t11-,12+,13-,14+/m1/s1
InChIKeyAJISLORPDKATHR-RQJABVFESA-N
MW309.32 g/mol
LogP1.36
Rot. Bonds7

About (2S,3R,5S)-5-[(1R)-2-azido-1-[(4-methoxyphenyl)methoxy]ethyl]oxolane-2,3-diol

(2S,3R,5S)-5-[(1R)-2-azido-1-[(4-methoxyphenyl)methoxy]ethyl]oxolane-2,3-diol (PubChem CID 90970942) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is (2S,3R,5S)-5-[(1R)-2-azido-1-[(4-methoxyphenyl)methoxy]ethyl]oxolane-2,3-diol.

Molecular Properties

Compound Name(2S,3R,5S)-5-[(1R)-2-azido-1-[(4-methoxyphenyl)methoxy]ethyl]oxolane-2,3-diol
PubChem CID90970942
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name(2S,3R,5S)-5-[(1R)-2-azido-1-[(4-methoxyphenyl)methoxy]ethyl]oxolane-2,3-diol
SMILESCOc1ccc(CO[C@H](CN=[N+]=[N-])[C@@H]2C[C@@H](O)[C@@H](O)O2)cc1
InChIInChI=1S/C14H19N3O5/c1-20-10-4-2-9(3-5-10)8-21-13(7-16-17-15)12-6-11(18)14(19)22-12/h2-5,11-14,18-19H,6-8H2,1H3/t11-,12+,13-,14+/m1/s1
InChIKeyAJISLORPDKATHR-RQJABVFESA-N
XLogP1.36
TPSA116.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

(2S,3S,5S)-5-[(1R)-2-azido-1-hydroxyethyl]oxolane-2,3-diol
CID 130865556
(2R,3R)-5-[(2R,4S)-5-azido-4-methylpentan-2-yl]-5-methoxy-2-[(1S,3S)-1-[(4-methoxyphenyl)methoxy]-3-methylhex-5-ynyl]oxolan-3-ol
CID 11488312
(2S)-2-[(1S)-1-[(4-methoxyphenyl)methoxy]tridecyl]oxirane
CID 10406372
(1S,2R,3R,4S,6R)-4,6-diazido-3-[(4-methoxyphenyl)methoxy]cyclohexane-1,2-diol
CID 102153412
1-azido-3-(4-methoxyphenyl)propan-2-amine
CID 22054877
(3aR,5R,6S)-5-[(1R)-4-azido-1-phenylmethoxybutyl]-6-[(4-methoxyphenyl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 155647498
[(2S,3R,4R,5R)-5-[(1R)-2-azido-1-phenylmethoxyethyl]-2-methoxy-4-phenylmethoxyoxolan-3-yl]oxy-trimethylsilane
CID 71482339
(3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(4-methoxyphenyl)methoxy]propan-1-ol
CID 11185547
(2S,3R,4R,5R)-5-[(1R)-2-azido-1-methoxyethyl]-2-ethoxy-4-phenylmethoxyoxolan-3-ol
CID 22816407
[(2R,3R,4R,5R)-2-acetyl-5-(4-azido-1-phenylmethoxybutyl)-2-hydroxy-4-[(4-methoxyphenyl)methoxy]oxolan-3-yl] acetate
CID 151523595
(3R,4R,5S,6R)-3-azido-4,5-bis[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]oxan-2-ol
CID 91184934
1-[[bis[(4-methoxyphenyl)methoxy]methoxy-[(4-methoxyphenyl)methoxy]methoxy]methyl]-4-methoxybenzene
CID 66849270

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5S)-5-[(1R)-2-azido-1-[(4-methoxyphenyl)methoxy]ethyl]oxolane-2,3-diol?
The IUPAC name of (2S,3R,5S)-5-[(1R)-2-azido-1-[(4-methoxyphenyl)methoxy]ethyl]oxolane-2,3-diol (CID 90970942) is (2S,3R,5S)-5-[(1R)-2-azido-1-[(4-methoxyphenyl)methoxy]ethyl]oxolane-2,3-diol.
What is the SMILES notation for (2S,3R,5S)-5-[(1R)-2-azido-1-[(4-methoxyphenyl)methoxy]ethyl]oxolane-2,3-diol?
The canonical SMILES for (2S,3R,5S)-5-[(1R)-2-azido-1-[(4-methoxyphenyl)methoxy]ethyl]oxolane-2,3-diol is COc1ccc(CO[C@H](CN=[N+]=[N-])[C@@H]2C[C@@H](O)[C@@H](O)O2)cc1.
What is the InChIKey of (2S,3R,5S)-5-[(1R)-2-azido-1-[(4-methoxyphenyl)methoxy]ethyl]oxolane-2,3-diol?
The InChIKey is AJISLORPDKATHR-RQJABVFESA-N. The full InChI is InChI=1S/C14H19N3O5/c1-20-10-4-2-9(3-5-10)8-21-13(7-16-17-15)12-6-11(18)14(19)22-12/h2-5,11-14,18-19H,6-8H2,1H3/t11-,12+,13-,14+/m1/s1.
What are the key properties of (2S,3R,5S)-5-[(1R)-2-azido-1-[(4-methoxyphenyl)methoxy]ethyl]oxolane-2,3-diol?
(2S,3R,5S)-5-[(1R)-2-azido-1-[(4-methoxyphenyl)methoxy]ethyl]oxolane-2,3-diol has a molecular weight of 309.32 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5S)-5-[(1R)-2-azido-1-[(4-methoxyphenyl)methoxy]ethyl]oxolane-2,3-diol is sourced from PubChem (CID 90970942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).