(2R,3R,4S)-5-hydroxyimino-1,3,4-tris(phenylmethoxy)pentan-2-ol

C26H29NO5 — CID 134972445

IUPAC(2R,3R,4S)-5-hydroxyimino-1,3,4-tris(phenylmethoxy)pentan-2-ol
SMILESON=C[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1
InChIInChI=1S/C26H29NO5/c28-24(20-30-17-21-10-4-1-5-11-21)26(32-19-23-14-8-3-9-15-23)25(16-27-29)31-18-22-12-6-2-7-13-22/h1-16,24-26,28-29H,17-20H2/t24-,25+,26-/m1/s1
InChIKeyAILMEHKZYKDQPG-UODIDJSMSA-N
MW435.52 g/mol
LogP4.19
Rot. Bonds13

About (2R,3R,4S)-5-hydroxyimino-1,3,4-tris(phenylmethoxy)pentan-2-ol

(2R,3R,4S)-5-hydroxyimino-1,3,4-tris(phenylmethoxy)pentan-2-ol (PubChem CID 134972445) has the molecular formula C26H29NO5 and a molecular weight of 435.52 g/mol. Its IUPAC name is (2R,3R,4S)-5-hydroxyimino-1,3,4-tris(phenylmethoxy)pentan-2-ol.

Molecular Properties

Compound Name(2R,3R,4S)-5-hydroxyimino-1,3,4-tris(phenylmethoxy)pentan-2-ol
PubChem CID134972445
Molecular FormulaC26H29NO5
Molecular Weight435.52 g/mol
Exact Mass435.20
IUPAC Name(2R,3R,4S)-5-hydroxyimino-1,3,4-tris(phenylmethoxy)pentan-2-ol
SMILESON=C[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1
InChIInChI=1S/C26H29NO5/c28-24(20-30-17-21-10-4-1-5-11-21)26(32-19-23-14-8-3-9-15-23)25(16-27-29)31-18-22-12-6-2-7-13-22/h1-16,24-26,28-29H,17-20H2/t24-,25+,26-/m1/s1
InChIKeyAILMEHKZYKDQPG-UODIDJSMSA-N
XLogP4.19
TPSA80.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2S,3S,6R)-3-[(Z)-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentylidene]amino]oxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methanol
CID 16758487
(2R,3R)-2,3,4-tris(phenylmethoxy)butan-1-ol
CID 11014688
(2r,3r,4r)-3,4-Bis(benzyloxy)-2-(benzyloxymethyl)-3,4-dihydro-2h-pyrrole 1-oxide
CID 11350584
(1R,2S,3S,4R)-1,4-di-O-benzylconduritol B
CID 73064944
2-(Benzyloxy)-3-(2-(benzyloxy)-3-(2-(benzyloxy)-3-hydroxypropoxy)propoxy)propan-1-ol
CID 10505871
(2R,3S)-1,3,4-tris(phenylmethoxy)butan-2-ol
CID 11014689
2,3,5-Tri-O-benzyl-D-ribitol
CID 11774541
(2s,3s,4s)-3,4-Bis(benzyloxy)-2-(benzyloxymethyl)-3,4-dihydro-2h-pyrrole 1-oxide
CID 46188976
2,3,5-Tris-O-(phenylmethyl)-D-arabinitol
CID 54114163
(NE)-N-[2-[(2S)-1-trityloxybut-3-en-2-yl]oxyethylidene]hydroxylamine
CID 57827498
3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyrrole
CID 69407146
(2r,3s,4s)-3,4-Bis(benzyloxy)-2-(benzyloxymethyl)-3,4-dihydro-2h-pyrrole 1-oxide
CID 90180939

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-5-hydroxyimino-1,3,4-tris(phenylmethoxy)pentan-2-ol?
The IUPAC name of (2R,3R,4S)-5-hydroxyimino-1,3,4-tris(phenylmethoxy)pentan-2-ol (CID 134972445) is (2R,3R,4S)-5-hydroxyimino-1,3,4-tris(phenylmethoxy)pentan-2-ol.
What is the SMILES notation for (2R,3R,4S)-5-hydroxyimino-1,3,4-tris(phenylmethoxy)pentan-2-ol?
The canonical SMILES for (2R,3R,4S)-5-hydroxyimino-1,3,4-tris(phenylmethoxy)pentan-2-ol is ON=C[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1.
What is the InChIKey of (2R,3R,4S)-5-hydroxyimino-1,3,4-tris(phenylmethoxy)pentan-2-ol?
The InChIKey is AILMEHKZYKDQPG-UODIDJSMSA-N. The full InChI is InChI=1S/C26H29NO5/c28-24(20-30-17-21-10-4-1-5-11-21)26(32-19-23-14-8-3-9-15-23)25(16-27-29)31-18-22-12-6-2-7-13-22/h1-16,24-26,28-29H,17-20H2/t24-,25+,26-/m1/s1.
What are the key properties of (2R,3R,4S)-5-hydroxyimino-1,3,4-tris(phenylmethoxy)pentan-2-ol?
(2R,3R,4S)-5-hydroxyimino-1,3,4-tris(phenylmethoxy)pentan-2-ol has a molecular weight of 435.52 g/mol, XLogP of 4.19, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-5-hydroxyimino-1,3,4-tris(phenylmethoxy)pentan-2-ol is sourced from PubChem (CID 134972445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).