methyl (2R,3R,5R)-3,5-dihydroxy-4-phenylmethoxyoxane-2-carboxylate

C14H18O6 — CID 163625128

IUPACmethyl (2R,3R,5R)-3,5-dihydroxy-4-phenylmethoxyoxane-2-carboxylate
SMILESCOC(=O)[C@@H]1OC[C@@H](O)C(OCc2ccccc2)[C@H]1O
InChIInChI=1S/C14H18O6/c1-18-14(17)13-11(16)12(10(15)8-20-13)19-7-9-5-3-2-4-6-9/h2-6,10-13,15-16H,7-8H2,1H3/t10-,11-,12?,13-/m1/s1
InChIKeyHRJGSJXINFROPB-ZHRBOBAGSA-N
MW282.29 g/mol
LogP-0.13
Rot. Bonds4

About methyl (2R,3R,5R)-3,5-dihydroxy-4-phenylmethoxyoxane-2-carboxylate

methyl (2R,3R,5R)-3,5-dihydroxy-4-phenylmethoxyoxane-2-carboxylate (PubChem CID 163625128) has the molecular formula C14H18O6 and a molecular weight of 282.29 g/mol. Its IUPAC name is methyl (2R,3R,5R)-3,5-dihydroxy-4-phenylmethoxyoxane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3R,5R)-3,5-dihydroxy-4-phenylmethoxyoxane-2-carboxylate
PubChem CID163625128
Molecular FormulaC14H18O6
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Namemethyl (2R,3R,5R)-3,5-dihydroxy-4-phenylmethoxyoxane-2-carboxylate
SMILESCOC(=O)[C@@H]1OC[C@@H](O)C(OCc2ccccc2)[C@H]1O
InChIInChI=1S/C14H18O6/c1-18-14(17)13-11(16)12(10(15)8-20-13)19-7-9-5-3-2-4-6-9/h2-6,10-13,15-16H,7-8H2,1H3/t10-,11-,12?,13-/m1/s1
InChIKeyHRJGSJXINFROPB-ZHRBOBAGSA-N
XLogP-0.13
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl (2R,3R,5R)-3,5-dihydroxy-4-phenylmethoxyoxane-2-carboxylate 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,6S)-5,6-dimethyl-4-phenylmethoxyoxan-3-ol
CID 122658990
methyl (2S,3S,4S,5R,6S)-6-ethylsulfanyl-3-hydroxy-4,5-bis(phenylmethoxy)oxane-2-carboxylate
CID 102071523
methyl (2R,3S,4R,5R,6S)-3-acetyloxy-5,6-dihydroxy-4-phenylmethoxyoxane-2-carboxylate
CID 140665819
methyl (2R,3S,4S,5R)-3,4,5-trihydroxyoxane-2-carboxylate
CID 100924414
benzyl (3R,4R)-5-hydroxy-4-phenylmethoxy-3-(3-phenylpropoxy)oxane-2-carboxylate
CID 59011060
methyl (3aR,6S,7R)-6-hydroxy-2,2-dimethyl-7-phenylmethoxy-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-carboxylate
CID 71166517
3-phenylmethoxyoxane-2,4,5-triol
CID 19602254
(2R,3S,4S,5R)-3,6-dihydroxy-5-methoxy-4-phenylmethoxyoxane-2-carboxylic acid
CID 68806241
methyl (2R,3S,4R,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3,4-bis(phenylmethoxy)oxane-2-carboxylate
CID 11060198
2-methoxy-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 74021074
(2R,3R,4S,5S)-2-phenylmethoxyoxane-3,4,5-triol
CID 11253449
(2R,3S,4R,5S)-2-phenylmethoxyoxane-3,4,5-triol
CID 11564962

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R,5R)-3,5-dihydroxy-4-phenylmethoxyoxane-2-carboxylate?
The IUPAC name of methyl (2R,3R,5R)-3,5-dihydroxy-4-phenylmethoxyoxane-2-carboxylate (CID 163625128) is methyl (2R,3R,5R)-3,5-dihydroxy-4-phenylmethoxyoxane-2-carboxylate.
What is the SMILES notation for methyl (2R,3R,5R)-3,5-dihydroxy-4-phenylmethoxyoxane-2-carboxylate?
The canonical SMILES for methyl (2R,3R,5R)-3,5-dihydroxy-4-phenylmethoxyoxane-2-carboxylate is COC(=O)[C@@H]1OC[C@@H](O)C(OCc2ccccc2)[C@H]1O.
What is the InChIKey of methyl (2R,3R,5R)-3,5-dihydroxy-4-phenylmethoxyoxane-2-carboxylate?
The InChIKey is HRJGSJXINFROPB-ZHRBOBAGSA-N. The full InChI is InChI=1S/C14H18O6/c1-18-14(17)13-11(16)12(10(15)8-20-13)19-7-9-5-3-2-4-6-9/h2-6,10-13,15-16H,7-8H2,1H3/t10-,11-,12?,13-/m1/s1.
What are the key properties of methyl (2R,3R,5R)-3,5-dihydroxy-4-phenylmethoxyoxane-2-carboxylate?
methyl (2R,3R,5R)-3,5-dihydroxy-4-phenylmethoxyoxane-2-carboxylate has a molecular weight of 282.29 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R,5R)-3,5-dihydroxy-4-phenylmethoxyoxane-2-carboxylate is sourced from PubChem (CID 163625128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).