[(3S,4S,5R)-5-[(2S)-but-3-en-2-yl]-5-ethyl-4-methoxy-3,4-dihydro-2H-furan-2-id-3-yl] acetate;uranium

C13H21O4U- — CID 58049048

IUPAC[(3S,4S,5R)-5-[(2S)-but-3-en-2-yl]-5-ethyl-4-methoxy-3,4-dihydro-2H-furan-2-id-3-yl] acetate;uranium
SMILESC=C[C@H](C)[C@@]1(CC)O[CH-][C@H](OC(C)=O)[C@@H]1OC.[U]
InChIInChI=1S/C13H21O4.U/c1-6-9(3)13(7-2)12(15-5)11(8-16-13)17-10(4)14;/h6,8-9,11-12H,1,7H2,2-5H3;/q-1;/t9-,11-,12-,13+;/m0./s1
InChIKeyHKSAOXOJMBHZIM-WRXPESLUSA-N
MW479.34 g/mol
LogP2.10
Rot. Bonds5

About [(3S,4S,5R)-5-[(2S)-but-3-en-2-yl]-5-ethyl-4-methoxy-3,4-dihydro-2H-furan-2-id-3-yl] acetate;uranium

[(3S,4S,5R)-5-[(2S)-but-3-en-2-yl]-5-ethyl-4-methoxy-3,4-dihydro-2H-furan-2-id-3-yl] acetate;uranium (PubChem CID 58049048) has the molecular formula C13H21O4U- and a molecular weight of 479.34 g/mol. Its IUPAC name is [(3S,4S,5R)-5-[(2S)-but-3-en-2-yl]-5-ethyl-4-methoxy-3,4-dihydro-2H-furan-2-id-3-yl] acetate;uranium.

Molecular Properties

Compound Name[(3S,4S,5R)-5-[(2S)-but-3-en-2-yl]-5-ethyl-4-methoxy-3,4-dihydro-2H-furan-2-id-3-yl] acetate;uranium
PubChem CID58049048
Molecular FormulaC13H21O4U-
Molecular Weight479.34 g/mol
Exact Mass479.20
IUPAC Name[(3S,4S,5R)-5-[(2S)-but-3-en-2-yl]-5-ethyl-4-methoxy-3,4-dihydro-2H-furan-2-id-3-yl] acetate;uranium
SMILESC=C[C@H](C)[C@@]1(CC)O[CH-][C@H](OC(C)=O)[C@@H]1OC.[U]
InChIInChI=1S/C13H21O4.U/c1-6-9(3)13(7-2)12(15-5)11(8-16-13)17-10(4)14;/h6,8-9,11-12H,1,7H2,2-5H3;/q-1;/t9-,11-,12-,13+;/m0./s1
InChIKeyHKSAOXOJMBHZIM-WRXPESLUSA-N
XLogP2.10
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.34
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S,5R)-5-[(2S)-but-3-en-2-yl]-5-ethyl-4-methoxy-3,4-dihydro-2H-furan-2-id-3-yl] acetate;uranium?
The IUPAC name of [(3S,4S,5R)-5-[(2S)-but-3-en-2-yl]-5-ethyl-4-methoxy-3,4-dihydro-2H-furan-2-id-3-yl] acetate;uranium (CID 58049048) is [(3S,4S,5R)-5-[(2S)-but-3-en-2-yl]-5-ethyl-4-methoxy-3,4-dihydro-2H-furan-2-id-3-yl] acetate;uranium.
What is the SMILES notation for [(3S,4S,5R)-5-[(2S)-but-3-en-2-yl]-5-ethyl-4-methoxy-3,4-dihydro-2H-furan-2-id-3-yl] acetate;uranium?
The canonical SMILES for [(3S,4S,5R)-5-[(2S)-but-3-en-2-yl]-5-ethyl-4-methoxy-3,4-dihydro-2H-furan-2-id-3-yl] acetate;uranium is C=C[C@H](C)[C@@]1(CC)O[CH-][C@H](OC(C)=O)[C@@H]1OC.[U].
What is the InChIKey of [(3S,4S,5R)-5-[(2S)-but-3-en-2-yl]-5-ethyl-4-methoxy-3,4-dihydro-2H-furan-2-id-3-yl] acetate;uranium?
The InChIKey is HKSAOXOJMBHZIM-WRXPESLUSA-N. The full InChI is InChI=1S/C13H21O4.U/c1-6-9(3)13(7-2)12(15-5)11(8-16-13)17-10(4)14;/h6,8-9,11-12H,1,7H2,2-5H3;/q-1;/t9-,11-,12-,13+;/m0./s1.
What are the key properties of [(3S,4S,5R)-5-[(2S)-but-3-en-2-yl]-5-ethyl-4-methoxy-3,4-dihydro-2H-furan-2-id-3-yl] acetate;uranium?
[(3S,4S,5R)-5-[(2S)-but-3-en-2-yl]-5-ethyl-4-methoxy-3,4-dihydro-2H-furan-2-id-3-yl] acetate;uranium has a molecular weight of 479.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S,5R)-5-[(2S)-but-3-en-2-yl]-5-ethyl-4-methoxy-3,4-dihydro-2H-furan-2-id-3-yl] acetate;uranium is sourced from PubChem (CID 58049048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).