[(2R,3S)-3-methoxybutan-2-yl] [(3S)-3-[(3R)-3-[(3S)-3-methoxybutan-2-yl]oxycarbonyloxybutan-2-yl]oxycarbonyloxybutan-2-yl] carbonate

C21H38O11 — CID 118920598

IUPAC[(2R,3S)-3-methoxybutan-2-yl] [(3S)-3-[(3R)-3-[(3S)-3-methoxybutan-2-yl]oxycarbonyloxybutan-2-yl]oxycarbonyloxybutan-2-yl] carbonate
SMILESCO[C@@H](C)C(C)OC(=O)O[C@H](C)C(C)OC(=O)O[C@@H](C)C(C)OC(=O)O[C@H](C)[C@H](C)OC
InChIInChI=1S/C21H38O11/c1-11(25-9)13(3)27-19(22)29-15(5)17(7)31-21(24)32-18(8)16(6)30-20(23)28-14(4)12(2)26-10/h11-18H,1-10H3/t11-,12-,13+,14?,15?,16+,17-,18?/m0/s1
InChIKeyHPGBPOYWUZUPBC-TWIJRQSESA-N
MW466.52 g/mol
LogP3.85
Rot. Bonds12

About [(2R,3S)-3-methoxybutan-2-yl] [(3S)-3-[(3R)-3-[(3S)-3-methoxybutan-2-yl]oxycarbonyloxybutan-2-yl]oxycarbonyloxybutan-2-yl] carbonate

[(2R,3S)-3-methoxybutan-2-yl] [(3S)-3-[(3R)-3-[(3S)-3-methoxybutan-2-yl]oxycarbonyloxybutan-2-yl]oxycarbonyloxybutan-2-yl] carbonate (PubChem CID 118920598) has the molecular formula C21H38O11 and a molecular weight of 466.52 g/mol. Its IUPAC name is [(2R,3S)-3-methoxybutan-2-yl] [(3S)-3-[(3R)-3-[(3S)-3-methoxybutan-2-yl]oxycarbonyloxybutan-2-yl]oxycarbonyloxybutan-2-yl] carbonate.

Molecular Properties

Compound Name[(2R,3S)-3-methoxybutan-2-yl] [(3S)-3-[(3R)-3-[(3S)-3-methoxybutan-2-yl]oxycarbonyloxybutan-2-yl]oxycarbonyloxybutan-2-yl] carbonate
PubChem CID118920598
Molecular FormulaC21H38O11
Molecular Weight466.52 g/mol
Exact Mass466.24
IUPAC Name[(2R,3S)-3-methoxybutan-2-yl] [(3S)-3-[(3R)-3-[(3S)-3-methoxybutan-2-yl]oxycarbonyloxybutan-2-yl]oxycarbonyloxybutan-2-yl] carbonate
SMILESCO[C@@H](C)C(C)OC(=O)O[C@H](C)C(C)OC(=O)O[C@@H](C)C(C)OC(=O)O[C@H](C)[C@H](C)OC
InChIInChI=1S/C21H38O11/c1-11(25-9)13(3)27-19(22)29-15(5)17(7)31-21(24)32-18(8)16(6)30-20(23)28-14(4)12(2)26-10/h11-18H,1-10H3/t11-,12-,13+,14?,15?,16+,17-,18?/m0/s1
InChIKeyHPGBPOYWUZUPBC-TWIJRQSESA-N
XLogP3.85
TPSA125.05 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.52
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze [(2R,3S)-3-methoxybutan-2-yl] [(3S)-3-[(3R)-3-[(3S)-3-methoxybutan-2-yl]oxycarbonyloxybutan-2-yl]oxycarbonyloxybutan-2-yl] carbonate with MolForge

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Related Compounds

3-methoxybutan-2-yl carbamate
CID 88788189
3-methylbutan-2-yl propan-2-yl carbonate
CID 23388328
[(2S)-3-methylbutan-2-yl] propan-2-yl carbonate
CID 118177700
tetrakis(3-methoxybutan-2-ol);titanium
CID 87400575
3-(2-chloropropanoyloxy)butan-2-yl 2-chloropropanoate
CID 102279540
3-hydroxy-4-methoxypentan-2-one
CID 100919894
bis(2,4-dimethylpentan-3-yl) carbonate
CID 87168840
[(1S)-1-chloroethyl] [(1R)-1-chloroethyl] carbonate
CID 124561868
3-methylpentan-2-yl pentan-3-yl carbonate
CID 139479446
methyl (3R)-2-amino-3-methoxybutanoate
CID 87094409
3-amino-4-methoxypentan-2-one
CID 58914399
3-methoxybutan-2-yl N-[(prop-2-enoylamino)methylidene]carbamate
CID 173442659

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-methoxybutan-2-yl] [(3S)-3-[(3R)-3-[(3S)-3-methoxybutan-2-yl]oxycarbonyloxybutan-2-yl]oxycarbonyloxybutan-2-yl] carbonate?
The IUPAC name of [(2R,3S)-3-methoxybutan-2-yl] [(3S)-3-[(3R)-3-[(3S)-3-methoxybutan-2-yl]oxycarbonyloxybutan-2-yl]oxycarbonyloxybutan-2-yl] carbonate (CID 118920598) is [(2R,3S)-3-methoxybutan-2-yl] [(3S)-3-[(3R)-3-[(3S)-3-methoxybutan-2-yl]oxycarbonyloxybutan-2-yl]oxycarbonyloxybutan-2-yl] carbonate.
What is the SMILES notation for [(2R,3S)-3-methoxybutan-2-yl] [(3S)-3-[(3R)-3-[(3S)-3-methoxybutan-2-yl]oxycarbonyloxybutan-2-yl]oxycarbonyloxybutan-2-yl] carbonate?
The canonical SMILES for [(2R,3S)-3-methoxybutan-2-yl] [(3S)-3-[(3R)-3-[(3S)-3-methoxybutan-2-yl]oxycarbonyloxybutan-2-yl]oxycarbonyloxybutan-2-yl] carbonate is CO[C@@H](C)C(C)OC(=O)O[C@H](C)C(C)OC(=O)O[C@@H](C)C(C)OC(=O)O[C@H](C)[C@H](C)OC.
What is the InChIKey of [(2R,3S)-3-methoxybutan-2-yl] [(3S)-3-[(3R)-3-[(3S)-3-methoxybutan-2-yl]oxycarbonyloxybutan-2-yl]oxycarbonyloxybutan-2-yl] carbonate?
The InChIKey is HPGBPOYWUZUPBC-TWIJRQSESA-N. The full InChI is InChI=1S/C21H38O11/c1-11(25-9)13(3)27-19(22)29-15(5)17(7)31-21(24)32-18(8)16(6)30-20(23)28-14(4)12(2)26-10/h11-18H,1-10H3/t11-,12-,13+,14?,15?,16+,17-,18?/m0/s1.
What are the key properties of [(2R,3S)-3-methoxybutan-2-yl] [(3S)-3-[(3R)-3-[(3S)-3-methoxybutan-2-yl]oxycarbonyloxybutan-2-yl]oxycarbonyloxybutan-2-yl] carbonate?
[(2R,3S)-3-methoxybutan-2-yl] [(3S)-3-[(3R)-3-[(3S)-3-methoxybutan-2-yl]oxycarbonyloxybutan-2-yl]oxycarbonyloxybutan-2-yl] carbonate has a molecular weight of 466.52 g/mol, XLogP of 3.85, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-methoxybutan-2-yl] [(3S)-3-[(3R)-3-[(3S)-3-methoxybutan-2-yl]oxycarbonyloxybutan-2-yl]oxycarbonyloxybutan-2-yl] carbonate is sourced from PubChem (CID 118920598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).