[(2R,3S,4S,5R,6R)-3,4,5,6-tetrakis[(2-amino-2-methylpropanoyl)oxy]oxan-2-yl]methyl 2-amino-2-methylpropanoate

C26H47N5O11 — CID 10677799

IUPAC[(2R,3S,4S,5R,6R)-3,4,5,6-tetrakis[(2-amino-2-methylpropanoyl)oxy]oxan-2-yl]methyl 2-amino-2-methylpropanoate
SMILESCC(C)(N)C(=O)OC[C@H]1O[C@H](OC(=O)C(C)(C)N)[C@H](OC(=O)C(C)(C)N)[C@@H](OC(=O)C(C)(C)N)[C@H]1OC(=O)C(C)(C)N
InChIInChI=1S/C26H47N5O11/c1-22(2,27)17(32)37-11-12-13(39-18(33)23(3,4)28)14(40-19(34)24(5,6)29)15(41-20(35)25(7,8)30)16(38-12)42-21(36)26(9,10)31/h12-16H,11,27-31H2,1-10H3/t12-,13+,14+,15-,16-/m1/s1
InChIKeyPMTSLCFRCWMOQV-LYYZXLFJSA-N
MW605.69 g/mol
LogP-1.78
Rot. Bonds11

About [(2R,3S,4S,5R,6R)-3,4,5,6-tetrakis[(2-amino-2-methylpropanoyl)oxy]oxan-2-yl]methyl 2-amino-2-methylpropanoate

[(2R,3S,4S,5R,6R)-3,4,5,6-tetrakis[(2-amino-2-methylpropanoyl)oxy]oxan-2-yl]methyl 2-amino-2-methylpropanoate (PubChem CID 10677799) has the molecular formula C26H47N5O11 and a molecular weight of 605.69 g/mol. Its IUPAC name is [(2R,3S,4S,5R,6R)-3,4,5,6-tetrakis[(2-amino-2-methylpropanoyl)oxy]oxan-2-yl]methyl 2-amino-2-methylpropanoate.

Molecular Properties

Compound Name[(2R,3S,4S,5R,6R)-3,4,5,6-tetrakis[(2-amino-2-methylpropanoyl)oxy]oxan-2-yl]methyl 2-amino-2-methylpropanoate
PubChem CID10677799
Molecular FormulaC26H47N5O11
Molecular Weight605.69 g/mol
Exact Mass605.33
IUPAC Name[(2R,3S,4S,5R,6R)-3,4,5,6-tetrakis[(2-amino-2-methylpropanoyl)oxy]oxan-2-yl]methyl 2-amino-2-methylpropanoate
SMILESCC(C)(N)C(=O)OC[C@H]1O[C@H](OC(=O)C(C)(C)N)[C@H](OC(=O)C(C)(C)N)[C@@H](OC(=O)C(C)(C)N)[C@H]1OC(=O)C(C)(C)N
InChIInChI=1S/C26H47N5O11/c1-22(2,27)17(32)37-11-12-13(39-18(33)23(3,4)28)14(40-19(34)24(5,6)29)15(41-20(35)25(7,8)30)16(38-12)42-21(36)26(9,10)31/h12-16H,11,27-31H2,1-10H3/t12-,13+,14+,15-,16-/m1/s1
InChIKeyPMTSLCFRCWMOQV-LYYZXLFJSA-N
XLogP-1.78
TPSA270.83 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.69
LogP ≤ 5-1.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze [(2R,3S,4S,5R,6R)-3,4,5,6-tetrakis[(2-amino-2-methylpropanoyl)oxy]oxan-2-yl]methyl 2-amino-2-methylpropanoate 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

[(2R,3R,4R,5R,6S)-3,4,6-tris(2,2-dimethylpropanoyloxy)-5-hydroxyoxan-2-yl]methyl 2,2-dimethylpropanoate
CID 141155693
[6-methoxy-3,4,5-tris[(2,2,2-trifluoroacetyl)oxy]oxan-2-yl]methyl 2,2,2-trifluoroacetate
CID 550492
[(2R,3S,4S,5R,6S)-3-acetyloxy-4,5-bis(2,2-dimethylpropanoyloxy)-6-methoxyoxan-2-yl]methyl 2,2-dimethylpropanoate
CID 101180904
[(2R,3S,4S,5R,6S)-3,4-diacetyloxy-5-(2,2-dimethylpropanoyloxy)-6-methoxyoxan-2-yl]methyl 2,2-dimethylpropanoate
CID 101180901
[(2R,3R,4S,5S,6R)-3,4,5-tris(2,2-dimethylpropanoyloxy)-6-(2,2,2-trichloroethanimidoyl)oxyoxan-2-yl]methyl 2,2-dimethylpropanoate
CID 177406281
[(3R,5R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 66625316
[(3S,4R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 59256922
[(3S,4S,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 53487899
[(3R,4R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 121321079
[(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 2724702
[(3R,6R)-6-amino-3,4,5-tris(2,2-dimethylpropanoyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate
CID 134974286
[(2R,3R,4S,5R,6S)-3,4,5-tris(2,2-dimethylpropanoyloxy)-6-sulfanyloxan-2-yl]methyl 2,2-dimethylpropanoate
CID 15361654

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5R,6R)-3,4,5,6-tetrakis[(2-amino-2-methylpropanoyl)oxy]oxan-2-yl]methyl 2-amino-2-methylpropanoate?
The IUPAC name of [(2R,3S,4S,5R,6R)-3,4,5,6-tetrakis[(2-amino-2-methylpropanoyl)oxy]oxan-2-yl]methyl 2-amino-2-methylpropanoate (CID 10677799) is [(2R,3S,4S,5R,6R)-3,4,5,6-tetrakis[(2-amino-2-methylpropanoyl)oxy]oxan-2-yl]methyl 2-amino-2-methylpropanoate.
What is the SMILES notation for [(2R,3S,4S,5R,6R)-3,4,5,6-tetrakis[(2-amino-2-methylpropanoyl)oxy]oxan-2-yl]methyl 2-amino-2-methylpropanoate?
The canonical SMILES for [(2R,3S,4S,5R,6R)-3,4,5,6-tetrakis[(2-amino-2-methylpropanoyl)oxy]oxan-2-yl]methyl 2-amino-2-methylpropanoate is CC(C)(N)C(=O)OC[C@H]1O[C@H](OC(=O)C(C)(C)N)[C@H](OC(=O)C(C)(C)N)[C@@H](OC(=O)C(C)(C)N)[C@H]1OC(=O)C(C)(C)N.
What is the InChIKey of [(2R,3S,4S,5R,6R)-3,4,5,6-tetrakis[(2-amino-2-methylpropanoyl)oxy]oxan-2-yl]methyl 2-amino-2-methylpropanoate?
The InChIKey is PMTSLCFRCWMOQV-LYYZXLFJSA-N. The full InChI is InChI=1S/C26H47N5O11/c1-22(2,27)17(32)37-11-12-13(39-18(33)23(3,4)28)14(40-19(34)24(5,6)29)15(41-20(35)25(7,8)30)16(38-12)42-21(36)26(9,10)31/h12-16H,11,27-31H2,1-10H3/t12-,13+,14+,15-,16-/m1/s1.
What are the key properties of [(2R,3S,4S,5R,6R)-3,4,5,6-tetrakis[(2-amino-2-methylpropanoyl)oxy]oxan-2-yl]methyl 2-amino-2-methylpropanoate?
[(2R,3S,4S,5R,6R)-3,4,5,6-tetrakis[(2-amino-2-methylpropanoyl)oxy]oxan-2-yl]methyl 2-amino-2-methylpropanoate has a molecular weight of 605.69 g/mol, XLogP of -1.78, 11 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5R,6R)-3,4,5,6-tetrakis[(2-amino-2-methylpropanoyl)oxy]oxan-2-yl]methyl 2-amino-2-methylpropanoate is sourced from PubChem (CID 10677799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).