(2R,4R,5S,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carbaldehyde

C29H32O6 — CID 11123619

IUPAC(2R,4R,5S,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carbaldehyde
SMILESCO[C@]1(C=O)C[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C29H32O6/c1-31-29(22-30)17-26(33-19-24-13-7-3-8-14-24)28(34-20-25-15-9-4-10-16-25)27(35-29)21-32-18-23-11-5-2-6-12-23/h2-16,22,26-28H,17-21H2,1H3/t26-,27-,28+,29-/m1/s1
InChIKeyXZIFRAJWOJTIBI-OVHUPFAXSA-N
MW476.57 g/mol
LogP4.70
Rot. Bonds12

About (2R,4R,5S,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carbaldehyde

(2R,4R,5S,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carbaldehyde (PubChem CID 11123619) has the molecular formula C29H32O6 and a molecular weight of 476.57 g/mol. Its IUPAC name is (2R,4R,5S,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carbaldehyde.

Molecular Properties

Compound Name(2R,4R,5S,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carbaldehyde
PubChem CID11123619
Molecular FormulaC29H32O6
Molecular Weight476.57 g/mol
Exact Mass476.22
IUPAC Name(2R,4R,5S,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carbaldehyde
SMILESCO[C@]1(C=O)C[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C29H32O6/c1-31-29(22-30)17-26(33-19-24-13-7-3-8-14-24)28(34-20-25-15-9-4-10-16-25)27(35-29)21-32-18-23-11-5-2-6-12-23/h2-16,22,26-28H,17-21H2,1H3/t26-,27-,28+,29-/m1/s1
InChIKeyXZIFRAJWOJTIBI-OVHUPFAXSA-N
XLogP4.70
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R,4R,5S,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4S,5R,6R)-3,4,5-Tris(benzyloxy)-6-((benzyloxy)methyl)oxan-2-one
CID 10907626
(2S,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-3-one
CID 10624274
(2S,4S,5R,6R)-2-ethyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-one
CID 44440825
(2S,3R,4S,5R,6R)-2-methoxy-6-(methoxymethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 68654071
Benzyl 2,3,4-tri-O-benzyl-D-glucopyranosyluronate
CID 87960890
[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate
CID 10481313
(2S,3S,4S,5R,6S)-4-heptoxy-3-[(4-methoxyphenyl)methoxy]-5,6-bis(phenylmethoxy)oxane-2-carbaldehyde
CID 11757880
(2R,4R,4aR,6R,8aR)-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine-4-carbaldehyde
CID 40488398
(2S,4S,5R,6R)-2-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-one
CID 44440822
(2S,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-propyloxan-3-one
CID 44440827
(2R,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-propyloxan-3-one
CID 44440828
(2S,4S,5R,6R)-2-pentyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-one
CID 44440832

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5S,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carbaldehyde?
The IUPAC name of (2R,4R,5S,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carbaldehyde (CID 11123619) is (2R,4R,5S,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carbaldehyde.
What is the SMILES notation for (2R,4R,5S,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carbaldehyde?
The canonical SMILES for (2R,4R,5S,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carbaldehyde is CO[C@]1(C=O)C[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1.
What is the InChIKey of (2R,4R,5S,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carbaldehyde?
The InChIKey is XZIFRAJWOJTIBI-OVHUPFAXSA-N. The full InChI is InChI=1S/C29H32O6/c1-31-29(22-30)17-26(33-19-24-13-7-3-8-14-24)28(34-20-25-15-9-4-10-16-25)27(35-29)21-32-18-23-11-5-2-6-12-23/h2-16,22,26-28H,17-21H2,1H3/t26-,27-,28+,29-/m1/s1.
What are the key properties of (2R,4R,5S,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carbaldehyde?
(2R,4R,5S,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carbaldehyde has a molecular weight of 476.57 g/mol, XLogP of 4.70, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5S,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carbaldehyde is sourced from PubChem (CID 11123619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).