methyl (2R,4S,5R,6R)-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-4,5-dihydroxy-2-methoxyoxane-2-carboxylate

C11H21NO8 — CID 101118722

IUPACmethyl (2R,4S,5R,6R)-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-4,5-dihydroxy-2-methoxyoxane-2-carboxylate
SMILESCOC(=O)[C@@]1(OC)C[C@H](O)[C@@H](O)[C@H]([C@H](O)[C@H](O)CN)O1
InChIInChI=1S/C11H21NO8/c1-18-10(17)11(19-2)3-5(13)7(15)9(20-11)8(16)6(14)4-12/h5-9,13-16H,3-4,12H2,1-2H3/t5-,6+,7+,8+,9+,11+/m0/s1
InChIKeyJCPUIJDCSNMBSI-YRMXFSIDSA-N
MW295.29 g/mol
LogP-3.31
Rot. Bonds5

About methyl (2R,4S,5R,6R)-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-4,5-dihydroxy-2-methoxyoxane-2-carboxylate

methyl (2R,4S,5R,6R)-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-4,5-dihydroxy-2-methoxyoxane-2-carboxylate (PubChem CID 101118722) has the molecular formula C11H21NO8 and a molecular weight of 295.29 g/mol. Its IUPAC name is methyl (2R,4S,5R,6R)-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-4,5-dihydroxy-2-methoxyoxane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4S,5R,6R)-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-4,5-dihydroxy-2-methoxyoxane-2-carboxylate
PubChem CID101118722
Molecular FormulaC11H21NO8
Molecular Weight295.29 g/mol
Exact Mass295.13
IUPAC Namemethyl (2R,4S,5R,6R)-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-4,5-dihydroxy-2-methoxyoxane-2-carboxylate
SMILESCOC(=O)[C@@]1(OC)C[C@H](O)[C@@H](O)[C@H]([C@H](O)[C@H](O)CN)O1
InChIInChI=1S/C11H21NO8/c1-18-10(17)11(19-2)3-5(13)7(15)9(20-11)8(16)6(14)4-12/h5-9,13-16H,3-4,12H2,1-2H3/t5-,6+,7+,8+,9+,11+/m0/s1
InChIKeyJCPUIJDCSNMBSI-YRMXFSIDSA-N
XLogP-3.31
TPSA151.70 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 5-3.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze methyl (2R,4S,5R,6R)-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-4,5-dihydroxy-2-methoxyoxane-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 5-amino-6-(1,2-dihydroxybutyl)-4-hydroxy-2-methoxyoxane-2-carboxylate
CID 20695384
(2R,4R,5R)-6-[(2R)-1,2-dihydroxy-3-(methylamino)propyl]-4,5-dihydroxy-2-methoxyoxane-2-carboxylic acid
CID 121313131
methyl (2R,4R,5R)-5-acetamido-6-[(1R)-3-amino-1,2-dihydroxypropyl]-4-hydroxy-2-prop-2-ynoxyoxane-2-carboxylate
CID 121306495
methyl (2S,4R,5R)-5-acetamido-6-[(1R,2R)-1,2-dihydroxy-5-oxononyl]-4-hydroxy-2-methoxyoxane-2-carboxylate
CID 157352520
methyl (4S,5R)-6-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-4-hydroxy-2-methoxy-5-methyloxane-2-carboxylate
CID 58083971
(2R,4R,5R,6R)-6-[(1R)-2-[(2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-methoxycarbonyloxan-2-yl]oxy-1-hydroxyethyl]-2,4,5-trihydroxyoxane-2-carboxylic acid
CID 91857861
methyl (2R,4R,5R)-6-[(1R)-2-acetyloxy-1-hydroxyethyl]-4,5-dihydroxy-2-[2-(4-methylphenoxy)ethoxy]oxane-2-carboxylate
CID 90352911
methyl (2S,4S,5S)-4-acetyloxy-2-methoxy-5-[(1S,2S)-1,2,3-triacetyloxypropyl]oxolane-2-carboxylate
CID 101206024
(2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-methoxycarbonyloxane-2-thiolate;mercury(1+);methane
CID 101197115
methyl (2R,4S,5R,6R)-4,5-diacetyloxy-2-methoxy-6-[(1R,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate
CID 14104843
4,5-dihydroxy-2-propan-2-yl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 158770654
1-[(2R,4S,5R,6R)-5-amino-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-4-hydroxy-2-phenylmethoxyoxan-2-yl]ethanone
CID 176972994

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4S,5R,6R)-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-4,5-dihydroxy-2-methoxyoxane-2-carboxylate?
The IUPAC name of methyl (2R,4S,5R,6R)-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-4,5-dihydroxy-2-methoxyoxane-2-carboxylate (CID 101118722) is methyl (2R,4S,5R,6R)-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-4,5-dihydroxy-2-methoxyoxane-2-carboxylate.
What is the SMILES notation for methyl (2R,4S,5R,6R)-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-4,5-dihydroxy-2-methoxyoxane-2-carboxylate?
The canonical SMILES for methyl (2R,4S,5R,6R)-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-4,5-dihydroxy-2-methoxyoxane-2-carboxylate is COC(=O)[C@@]1(OC)C[C@H](O)[C@@H](O)[C@H]([C@H](O)[C@H](O)CN)O1.
What is the InChIKey of methyl (2R,4S,5R,6R)-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-4,5-dihydroxy-2-methoxyoxane-2-carboxylate?
The InChIKey is JCPUIJDCSNMBSI-YRMXFSIDSA-N. The full InChI is InChI=1S/C11H21NO8/c1-18-10(17)11(19-2)3-5(13)7(15)9(20-11)8(16)6(14)4-12/h5-9,13-16H,3-4,12H2,1-2H3/t5-,6+,7+,8+,9+,11+/m0/s1.
What are the key properties of methyl (2R,4S,5R,6R)-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-4,5-dihydroxy-2-methoxyoxane-2-carboxylate?
methyl (2R,4S,5R,6R)-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-4,5-dihydroxy-2-methoxyoxane-2-carboxylate has a molecular weight of 295.29 g/mol, XLogP of -3.31, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4S,5R,6R)-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-4,5-dihydroxy-2-methoxyoxane-2-carboxylate is sourced from PubChem (CID 101118722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).