[(2R,4R,6R)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl] N-[(4R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]carbamate

C15H25NO10 — CID 58960857

IUPAC[(2R,4R,6R)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl] N-[(4R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]carbamate
SMILESCO[C@@H]1O[C@H](C)C(OC(=O)NC2C=C(CO)[C@@H](O)C(O)[C@H]2O)[C@H](O)C1O
InChIInChI=1S/C15H25NO10/c1-5-13(11(21)12(22)14(24-2)25-5)26-15(23)16-7-3-6(4-17)8(18)10(20)9(7)19/h3,5,7-14,17-22H,4H2,1-2H3,(H,16,23)/t5-,7?,8-,9+,10?,11-,12?,13?,14-/m1/s1
InChIKeyXRFKSHLUFAJYMK-VDDREILZSA-N
MW379.36 g/mol
LogP-3.42
Rot. Bonds4

About [(2R,4R,6R)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl] N-[(4R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]carbamate

[(2R,4R,6R)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl] N-[(4R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]carbamate (PubChem CID 58960857) has the molecular formula C15H25NO10 and a molecular weight of 379.36 g/mol. Its IUPAC name is [(2R,4R,6R)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl] N-[(4R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]carbamate.

Molecular Properties

Compound Name[(2R,4R,6R)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl] N-[(4R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]carbamate
PubChem CID58960857
Molecular FormulaC15H25NO10
Molecular Weight379.36 g/mol
Exact Mass379.15
IUPAC Name[(2R,4R,6R)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl] N-[(4R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]carbamate
SMILESCO[C@@H]1O[C@H](C)C(OC(=O)NC2C=C(CO)[C@@H](O)C(O)[C@H]2O)[C@H](O)C1O
InChIInChI=1S/C15H25NO10/c1-5-13(11(21)12(22)14(24-2)25-5)26-15(23)16-7-3-6(4-17)8(18)10(20)9(7)19/h3,5,7-14,17-22H,4H2,1-2H3,(H,16,23)/t5-,7?,8-,9+,10?,11-,12?,13?,14-/m1/s1
InChIKeyXRFKSHLUFAJYMK-VDDREILZSA-N
XLogP-3.42
TPSA178.17 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.36
LogP ≤ 5-3.42
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [(2R,4R,6R)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl] N-[(4R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,4R,6R)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl] N-[(4R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]carbamate?
The IUPAC name of [(2R,4R,6R)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl] N-[(4R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]carbamate (CID 58960857) is [(2R,4R,6R)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl] N-[(4R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]carbamate.
What is the SMILES notation for [(2R,4R,6R)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl] N-[(4R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]carbamate?
The canonical SMILES for [(2R,4R,6R)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl] N-[(4R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]carbamate is CO[C@@H]1O[C@H](C)C(OC(=O)NC2C=C(CO)[C@@H](O)C(O)[C@H]2O)[C@H](O)C1O.
What is the InChIKey of [(2R,4R,6R)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl] N-[(4R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]carbamate?
The InChIKey is XRFKSHLUFAJYMK-VDDREILZSA-N. The full InChI is InChI=1S/C15H25NO10/c1-5-13(11(21)12(22)14(24-2)25-5)26-15(23)16-7-3-6(4-17)8(18)10(20)9(7)19/h3,5,7-14,17-22H,4H2,1-2H3,(H,16,23)/t5-,7?,8-,9+,10?,11-,12?,13?,14-/m1/s1.
What are the key properties of [(2R,4R,6R)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl] N-[(4R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]carbamate?
[(2R,4R,6R)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl] N-[(4R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]carbamate has a molecular weight of 379.36 g/mol, XLogP of -3.42, 4 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R,6R)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl] N-[(4R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]carbamate is sourced from PubChem (CID 58960857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).