(1R,2S,10S,11S,15S)-14-amino-2,15-dimethyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-3,5-diene-5,13-diol

C18H27NO3 — CID 66708747

IUPAC(1R,2S,10S,11S,15S)-14-amino-2,15-dimethyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-3,5-diene-5,13-diol
SMILESC[C@]12C=CC(O)=CC1CC[C@@H]1[C@H]2OC[C@]2(C)C(N)C(O)C[C@@H]12
InChIInChI=1S/C18H27NO3/c1-17-6-5-11(20)7-10(17)3-4-12-13-8-14(21)15(19)18(13,2)9-22-16(12)17/h5-7,10,12-16,20-21H,3-4,8-9,19H2,1-2H3/t10?,12-,13-,14?,15?,16+,17-,18-/m0/s1
InChIKeyGALBLNZNQQSCPD-ODUIDNOHSA-N
MW305.42 g/mol
LogP2.14
Rot. Bonds

About (1R,2S,10S,11S,15S)-14-amino-2,15-dimethyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-3,5-diene-5,13-diol

(1R,2S,10S,11S,15S)-14-amino-2,15-dimethyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-3,5-diene-5,13-diol (PubChem CID 66708747) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is (1R,2S,10S,11S,15S)-14-amino-2,15-dimethyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-3,5-diene-5,13-diol.

Molecular Properties

Compound Name(1R,2S,10S,11S,15S)-14-amino-2,15-dimethyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-3,5-diene-5,13-diol
PubChem CID66708747
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name(1R,2S,10S,11S,15S)-14-amino-2,15-dimethyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-3,5-diene-5,13-diol
SMILESC[C@]12C=CC(O)=CC1CC[C@@H]1[C@H]2OC[C@]2(C)C(N)C(O)C[C@@H]12
InChIInChI=1S/C18H27NO3/c1-17-6-5-11(20)7-10(17)3-4-12-13-8-14(21)15(19)18(13,2)9-22-16(12)17/h5-7,10,12-16,20-21H,3-4,8-9,19H2,1-2H3/t10?,12-,13-,14?,15?,16+,17-,18-/m0/s1
InChIKeyGALBLNZNQQSCPD-ODUIDNOHSA-N
XLogP2.14
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (1R,2S,10S,11S,15S)-14-amino-2,15-dimethyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-3,5-diene-5,13-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,10S,11S,15S)-14-amino-2,15-dimethyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-3,5-diene-5,13-diol?
The IUPAC name of (1R,2S,10S,11S,15S)-14-amino-2,15-dimethyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-3,5-diene-5,13-diol (CID 66708747) is (1R,2S,10S,11S,15S)-14-amino-2,15-dimethyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-3,5-diene-5,13-diol.
What is the SMILES notation for (1R,2S,10S,11S,15S)-14-amino-2,15-dimethyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-3,5-diene-5,13-diol?
The canonical SMILES for (1R,2S,10S,11S,15S)-14-amino-2,15-dimethyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-3,5-diene-5,13-diol is C[C@]12C=CC(O)=CC1CC[C@@H]1[C@H]2OC[C@]2(C)C(N)C(O)C[C@@H]12.
What is the InChIKey of (1R,2S,10S,11S,15S)-14-amino-2,15-dimethyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-3,5-diene-5,13-diol?
The InChIKey is GALBLNZNQQSCPD-ODUIDNOHSA-N. The full InChI is InChI=1S/C18H27NO3/c1-17-6-5-11(20)7-10(17)3-4-12-13-8-14(21)15(19)18(13,2)9-22-16(12)17/h5-7,10,12-16,20-21H,3-4,8-9,19H2,1-2H3/t10?,12-,13-,14?,15?,16+,17-,18-/m0/s1.
What are the key properties of (1R,2S,10S,11S,15S)-14-amino-2,15-dimethyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-3,5-diene-5,13-diol?
(1R,2S,10S,11S,15S)-14-amino-2,15-dimethyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-3,5-diene-5,13-diol has a molecular weight of 305.42 g/mol, XLogP of 2.14, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,10S,11S,15S)-14-amino-2,15-dimethyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-3,5-diene-5,13-diol is sourced from PubChem (CID 66708747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).