(2R,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylselanyloxane

C16H24O5Se — CID 102307527

IUPAC(2R,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylselanyloxane
SMILESCOC[C@H]1O[C@@H](OC)[C@H]([Se]c2ccccc2)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C16H24O5Se/c1-17-10-12-13(18-2)14(19-3)15(16(20-4)21-12)22-11-8-6-5-7-9-11/h5-9,12-16H,10H2,1-4H3/t12-,13-,14+,15-,16-/m1/s1
InChIKeyIPVSGSJKOZAZNU-IBEHDNSVSA-N
MW375.32 g/mol
LogP0.85
Rot. Bonds7

About (2R,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylselanyloxane

(2R,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylselanyloxane (PubChem CID 102307527) has the molecular formula C16H24O5Se and a molecular weight of 375.32 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylselanyloxane.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylselanyloxane
PubChem CID102307527
Molecular FormulaC16H24O5Se
Molecular Weight375.32 g/mol
Exact Mass376.08
IUPAC Name(2R,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylselanyloxane
SMILESCOC[C@H]1O[C@@H](OC)[C@H]([Se]c2ccccc2)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C16H24O5Se/c1-17-10-12-13(18-2)14(19-3)15(16(20-4)21-12)22-11-8-6-5-7-9-11/h5-9,12-16H,10H2,1-4H3/t12-,13-,14+,15-,16-/m1/s1
InChIKeyIPVSGSJKOZAZNU-IBEHDNSVSA-N
XLogP0.85
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.32
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylmethoxyoxane
CID 70289541
(2S,3S,4S,5R,6R)-2-methoxy-6-(methoxymethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 67155731
(2R,3R,4S,5S,6R)-2,3,4,5-tetramethoxy-6-(methoxymethyl)oxane
CID 12900878
(3R,4R,5S,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-amine
CID 24804009
3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 91701485
(2S,3R,4R,5R,6S)-2,3,4-trimethoxy-6-(methoxymethyl)-5-[(2S,3R,4S,5R,6S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 124798414
(2S,3R,4R,5R,6S)-2,3,4-trimethoxy-6-(methoxymethyl)-5-[(2S,3R,4S,5S,6S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 124798413
(2S,3R,4R,5R)-2,3-dimethoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 59796294
2,4,5-trimethoxy-6-(methoxymethyl)-N,N-dimethyloxan-3-amine
CID 568194
(2R,3R,4S,5R,6R)-3,5-dimethoxy-2-(methoxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 24744907
(3aS,5R,6R,6aS)-6-methoxy-5-(methoxymethyl)-2-phenyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 102504528
3,4,5-trimethoxy-2-(methoxymethyl)-6-(4-methylphenyl)oxane
CID 59847084

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylselanyloxane?
The IUPAC name of (2R,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylselanyloxane (CID 102307527) is (2R,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylselanyloxane.
What is the SMILES notation for (2R,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylselanyloxane?
The canonical SMILES for (2R,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylselanyloxane is COC[C@H]1O[C@@H](OC)[C@H]([Se]c2ccccc2)[C@@H](OC)[C@@H]1OC.
What is the InChIKey of (2R,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylselanyloxane?
The InChIKey is IPVSGSJKOZAZNU-IBEHDNSVSA-N. The full InChI is InChI=1S/C16H24O5Se/c1-17-10-12-13(18-2)14(19-3)15(16(20-4)21-12)22-11-8-6-5-7-9-11/h5-9,12-16H,10H2,1-4H3/t12-,13-,14+,15-,16-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylselanyloxane?
(2R,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylselanyloxane has a molecular weight of 375.32 g/mol, XLogP of 0.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylselanyloxane is sourced from PubChem (CID 102307527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).