(2S,3S,4R,5S)-3-azido-5-(2-phenylmethoxyethoxy)cyclopentane-1,2,4-triol

C14H19N3O5 — CID 71264492

IUPAC(2S,3S,4R,5S)-3-azido-5-(2-phenylmethoxyethoxy)cyclopentane-1,2,4-triol
SMILES[N-]=[N+]=N[C@@H]1[C@@H](O)[C@H](OCCOCc2ccccc2)C(O)[C@H]1O
InChIInChI=1S/C14H19N3O5/c15-17-16-10-11(18)13(20)14(12(10)19)22-7-6-21-8-9-4-2-1-3-5-9/h1-5,10-14,18-20H,6-8H2/t10-,11-,12+,13?,14-/m0/s1
InChIKeyLUGBJDGEILKOIY-MWWBDVBNSA-N
MW309.32 g/mol
LogP0.36
Rot. Bonds7

About (2S,3S,4R,5S)-3-azido-5-(2-phenylmethoxyethoxy)cyclopentane-1,2,4-triol

(2S,3S,4R,5S)-3-azido-5-(2-phenylmethoxyethoxy)cyclopentane-1,2,4-triol (PubChem CID 71264492) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is (2S,3S,4R,5S)-3-azido-5-(2-phenylmethoxyethoxy)cyclopentane-1,2,4-triol.

Molecular Properties

Compound Name(2S,3S,4R,5S)-3-azido-5-(2-phenylmethoxyethoxy)cyclopentane-1,2,4-triol
PubChem CID71264492
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name(2S,3S,4R,5S)-3-azido-5-(2-phenylmethoxyethoxy)cyclopentane-1,2,4-triol
SMILES[N-]=[N+]=N[C@@H]1[C@@H](O)[C@H](OCCOCc2ccccc2)C(O)[C@H]1O
InChIInChI=1S/C14H19N3O5/c15-17-16-10-11(18)13(20)14(12(10)19)22-7-6-21-8-9-4-2-1-3-5-9/h1-5,10-14,18-20H,6-8H2/t10-,11-,12+,13?,14-/m0/s1
InChIKeyLUGBJDGEILKOIY-MWWBDVBNSA-N
XLogP0.36
TPSA127.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

(3S,5R)-4-azido-5-(1-hydroxy-2-phenylmethoxyethyl)oxolane-2,3-diol
CID 58971944
(1S,2R,3S,4S,5R,6S)-3-[(2S,3R,4R,5S,6R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5,6-tris(phenylmethoxy)cyclohexane-1,2-diol
CID 10876698
(1S,2S,4R,5S,6R)-5-azido-6-phenylmethoxy-2-(phenylmethoxymethyl)cyclohexane-1,2,4-triol
CID 10668615
(2R,3S,4R,5R,6S)-5-azido-3-phenylmethoxy-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-4-ol
CID 91098001
(3-azidocyclobutyl)methoxymethylbenzene
CID 86035077
(2R,3R,4S,5S,6S)-5-azido-4-(2-phenylethoxy)-6-(2-phenylethoxymethyl)oxane-2,3-diol
CID 174746498
2-[2-[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[2-(2-phenylmethoxyethoxy)ethoxy]cyclohexyl]oxyethoxy]ethoxymethylbenzene
CID 10941970
(3R,4R,6R)-5-azido-6-methoxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 59621111
(1S,2S,3S,4R,5S,6S)-2-[(2S,3R,4R,5R,6R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
CID 11051363
(2R,3R,4R,5R,6R)-4-azido-5,6-dimethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 10448864
(2R,3S,4R,5R,6R)-5-azido-2-(hydroxymethyl)-6-[(1S,2S,3S,4S,5R,6S)-2-hydroxy-3,4,5,6-tetrakis(phenylmethoxy)cyclohexyl]oxyoxane-3,4-diol
CID 10919664
2-azidoethoxymethylbenzene
CID 11116596

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S)-3-azido-5-(2-phenylmethoxyethoxy)cyclopentane-1,2,4-triol?
The IUPAC name of (2S,3S,4R,5S)-3-azido-5-(2-phenylmethoxyethoxy)cyclopentane-1,2,4-triol (CID 71264492) is (2S,3S,4R,5S)-3-azido-5-(2-phenylmethoxyethoxy)cyclopentane-1,2,4-triol.
What is the SMILES notation for (2S,3S,4R,5S)-3-azido-5-(2-phenylmethoxyethoxy)cyclopentane-1,2,4-triol?
The canonical SMILES for (2S,3S,4R,5S)-3-azido-5-(2-phenylmethoxyethoxy)cyclopentane-1,2,4-triol is [N-]=[N+]=N[C@@H]1[C@@H](O)[C@H](OCCOCc2ccccc2)C(O)[C@H]1O.
What is the InChIKey of (2S,3S,4R,5S)-3-azido-5-(2-phenylmethoxyethoxy)cyclopentane-1,2,4-triol?
The InChIKey is LUGBJDGEILKOIY-MWWBDVBNSA-N. The full InChI is InChI=1S/C14H19N3O5/c15-17-16-10-11(18)13(20)14(12(10)19)22-7-6-21-8-9-4-2-1-3-5-9/h1-5,10-14,18-20H,6-8H2/t10-,11-,12+,13?,14-/m0/s1.
What are the key properties of (2S,3S,4R,5S)-3-azido-5-(2-phenylmethoxyethoxy)cyclopentane-1,2,4-triol?
(2S,3S,4R,5S)-3-azido-5-(2-phenylmethoxyethoxy)cyclopentane-1,2,4-triol has a molecular weight of 309.32 g/mol, XLogP of 0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S)-3-azido-5-(2-phenylmethoxyethoxy)cyclopentane-1,2,4-triol is sourced from PubChem (CID 71264492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).