(2S,3S,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-(prop-2-enylamino)oxolan-2-ol

C22H27NO4 — CID 25023230

IUPAC(2S,3S,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-(prop-2-enylamino)oxolan-2-ol
SMILESC=CCN[C@H]1[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@@H]1O
InChIInChI=1S/C22H27NO4/c1-2-13-23-20-21(26-15-18-11-7-4-8-12-18)19(27-22(20)24)16-25-14-17-9-5-3-6-10-17/h2-12,19-24H,1,13-16H2/t19-,20+,21+,22+/m1/s1
InChIKeyYNAYDZSMQXDJLA-MLNNCEHLSA-N
MW369.46 g/mol
LogP2.65
Rot. Bonds10

About (2S,3S,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-(prop-2-enylamino)oxolan-2-ol

(2S,3S,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-(prop-2-enylamino)oxolan-2-ol (PubChem CID 25023230) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is (2S,3S,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-(prop-2-enylamino)oxolan-2-ol.

Molecular Properties

Compound Name(2S,3S,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-(prop-2-enylamino)oxolan-2-ol
PubChem CID25023230
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name(2S,3S,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-(prop-2-enylamino)oxolan-2-ol
SMILESC=CCN[C@H]1[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@@H]1O
InChIInChI=1S/C22H27NO4/c1-2-13-23-20-21(26-15-18-11-7-4-8-12-18)19(27-22(20)24)16-25-14-17-9-5-3-6-10-17/h2-12,19-24H,1,13-16H2/t19-,20+,21+,22+/m1/s1
InChIKeyYNAYDZSMQXDJLA-MLNNCEHLSA-N
XLogP2.65
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S,3S,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-(prop-2-enylamino)oxolan-2-ol with MolForge

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Related Compounds

(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076623
(2R,3R,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 12933787
(2S,3R,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076892
4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2,3-diol
CID 14139647
(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(prop-2-enoxymethyl)oxan-2-ol
CID 11283242
(2R,3R,4S,5R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-prop-2-enyloxolane
CID 11048522
(2S,3R,4S,5S,6S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2,3-diol
CID 123970736
(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2,3-diol
CID 10950430
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(3S,4S,5R,6R)-3,5-bis(phenylmethoxy)-4-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-ol
CID 14655276
N-[(2R,3S,4R,5R,6R)-2-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 124526322
(5R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-ol
CID 134865887

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-(prop-2-enylamino)oxolan-2-ol?
The IUPAC name of (2S,3S,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-(prop-2-enylamino)oxolan-2-ol (CID 25023230) is (2S,3S,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-(prop-2-enylamino)oxolan-2-ol.
What is the SMILES notation for (2S,3S,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-(prop-2-enylamino)oxolan-2-ol?
The canonical SMILES for (2S,3S,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-(prop-2-enylamino)oxolan-2-ol is C=CCN[C@H]1[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@@H]1O.
What is the InChIKey of (2S,3S,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-(prop-2-enylamino)oxolan-2-ol?
The InChIKey is YNAYDZSMQXDJLA-MLNNCEHLSA-N. The full InChI is InChI=1S/C22H27NO4/c1-2-13-23-20-21(26-15-18-11-7-4-8-12-18)19(27-22(20)24)16-25-14-17-9-5-3-6-10-17/h2-12,19-24H,1,13-16H2/t19-,20+,21+,22+/m1/s1.
What are the key properties of (2S,3S,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-(prop-2-enylamino)oxolan-2-ol?
(2S,3S,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-(prop-2-enylamino)oxolan-2-ol has a molecular weight of 369.46 g/mol, XLogP of 2.65, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-(prop-2-enylamino)oxolan-2-ol is sourced from PubChem (CID 25023230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).