(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[(3-phenylphenyl)methylamino]-6-prop-2-enoxyoxane-3,4-diol

C22H27NO5 — CID 67974628

IUPAC(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[(3-phenylphenyl)methylamino]-6-prop-2-enoxyoxane-3,4-diol
SMILESC=CCOC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C22H27NO5/c1-2-11-27-22-19(21(26)20(25)18(14-24)28-22)23-13-15-7-6-10-17(12-15)16-8-4-3-5-9-16/h2-10,12,18-26H,1,11,13-14H2/t18-,19-,20-,21-,22?/m1/s1
InChIKeyHSLSACFZFZSVNM-HDKZTWHISA-N
MW385.46 g/mol
LogP1.45
Rot. Bonds8

About (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[(3-phenylphenyl)methylamino]-6-prop-2-enoxyoxane-3,4-diol

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[(3-phenylphenyl)methylamino]-6-prop-2-enoxyoxane-3,4-diol (PubChem CID 67974628) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[(3-phenylphenyl)methylamino]-6-prop-2-enoxyoxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[(3-phenylphenyl)methylamino]-6-prop-2-enoxyoxane-3,4-diol
PubChem CID67974628
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Name(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[(3-phenylphenyl)methylamino]-6-prop-2-enoxyoxane-3,4-diol
SMILESC=CCOC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C22H27NO5/c1-2-11-27-22-19(21(26)20(25)18(14-24)28-22)23-13-15-7-6-10-17(12-15)16-8-4-3-5-9-16/h2-10,12,18-26H,1,11,13-14H2/t18-,19-,20-,21-,22?/m1/s1
InChIKeyHSLSACFZFZSVNM-HDKZTWHISA-N
XLogP1.45
TPSA91.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 51.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]carbamate
CID 67703192
(2R,3S,4R,5R,6R)-6-(2-azidoethoxy)-2-(hydroxymethyl)-5-[(4-phenylphenyl)methylamino]oxane-3,4-diol
CID 101359997
prop-2-enyl N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]carbamate
CID 146306845
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-prop-2-enoxyoxan-3-ol
CID 11486405
(3R,4R,5R,6R)-3-(benzylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 11565251
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-phenylmethoxy-4-prop-2-enoxyoxane-3,5-diol
CID 11449737
(2R,3S,4R,5R,6R)-5-(2,4-dinitroanilino)-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4-diol
CID 11101074
(2R,3R,4R)-2-(hydroxymethyl)-5-prop-2-enoxyoxolane-3,4-diol
CID 66709788
[(2S,3S,4S,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]-phenylmethanone
CID 89090282
prop-2-enyl N-[(2S,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-5-phenylmethoxy-2-prop-2-enoxyoxan-3-yl]carbamate
CID 56950549
(2S,3S,4R,5S,6R)-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4,5-triol
CID 23250805
N-[(2R,3S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide
CID 89290998

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[(3-phenylphenyl)methylamino]-6-prop-2-enoxyoxane-3,4-diol?
The IUPAC name of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[(3-phenylphenyl)methylamino]-6-prop-2-enoxyoxane-3,4-diol (CID 67974628) is (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[(3-phenylphenyl)methylamino]-6-prop-2-enoxyoxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[(3-phenylphenyl)methylamino]-6-prop-2-enoxyoxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[(3-phenylphenyl)methylamino]-6-prop-2-enoxyoxane-3,4-diol is C=CCOC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NCc1cccc(-c2ccccc2)c1.
What is the InChIKey of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[(3-phenylphenyl)methylamino]-6-prop-2-enoxyoxane-3,4-diol?
The InChIKey is HSLSACFZFZSVNM-HDKZTWHISA-N. The full InChI is InChI=1S/C22H27NO5/c1-2-11-27-22-19(21(26)20(25)18(14-24)28-22)23-13-15-7-6-10-17(12-15)16-8-4-3-5-9-16/h2-10,12,18-26H,1,11,13-14H2/t18-,19-,20-,21-,22?/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[(3-phenylphenyl)methylamino]-6-prop-2-enoxyoxane-3,4-diol?
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[(3-phenylphenyl)methylamino]-6-prop-2-enoxyoxane-3,4-diol has a molecular weight of 385.46 g/mol, XLogP of 1.45, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[(3-phenylphenyl)methylamino]-6-prop-2-enoxyoxane-3,4-diol is sourced from PubChem (CID 67974628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).