[(1R)-1-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] N-phenylcarbamate

C33H34N2O10 — CID 102061255

About [(1R)-1-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] N-phenylcarbamate

[(1R)-1-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] N-phenylcarbamate (PubChem CID 102061255) has the molecular formula C33H34N2O10 and a molecular weight of 618.64 g/mol. Its IUPAC name is [(1R)-1-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] N-phenylcarbamate.

Molecular Properties

• Compound Name: [(1R)-1-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] N-phenylcarbamate
• PubChem CID: 102061255
• Molecular Formula: C33H34N2O10
• Molecular Weight: 618.64 g/mol
• Exact Mass: 618.22
• IUPAC Name: [(1R)-1-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] N-phenylcarbamate
• SMILES: C[C@@H]1O[C@@H](O[C@H]2C[C@](O)([C@@H](C)OC(=O)Nc3ccccc3)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@H](N)[C@@H]1O
• InChI: InChI=1S/C33H34N2O10/c1-15-27(36)21(34)12-23(43-15)45-22-14-33(42,16(2)44-32(41)35-17-8-4-3-5-9-17)13-20-24(22)31(40)26-25(30(20)39)28(37)18-10-6-7-11-19(18)29(26)38/h3-11,15-16,21-23,27,36,39-40,42H,12-14,34H2,1-2H3,(H,35,41)/t15-,16+,21-,22-,23-,27+,33-/m0/s1
• InChIKey: KXGDCMYKSRSNJM-XXTYKEDGSA-N
• XLogP: 3.07
• TPSA: 197.87 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	618.64
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] N-phenylcarbamate?

The IUPAC name of [(1R)-1-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] N-phenylcarbamate (CID 102061255) is [(1R)-1-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] N-phenylcarbamate.

What is the SMILES notation for [(1R)-1-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] N-phenylcarbamate?

The canonical SMILES for [(1R)-1-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] N-phenylcarbamate is C[C@@H]1O[C@@H](O[C@H]2C[C@](O)([C@@H](C)OC(=O)Nc3ccccc3)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@H](N)[C@@H]1O.

What is the InChIKey of [(1R)-1-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] N-phenylcarbamate?

The InChIKey is KXGDCMYKSRSNJM-XXTYKEDGSA-N. The full InChI is InChI=1S/C33H34N2O10/c1-15-27(36)21(34)12-23(43-15)45-22-14-33(42,16(2)44-32(41)35-17-8-4-3-5-9-17)13-20-24(22)31(40)26-25(30(20)39)28(37)18-10-6-7-11-19(18)29(26)38/h3-11,15-16,21-23,27,36,39-40,42H,12-14,34H2,1-2H3,(H,35,41)/t15-,16+,21-,22-,23-,27+,33-/m0/s1.

What are the key properties of [(1R)-1-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] N-phenylcarbamate?

[(1R)-1-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] N-phenylcarbamate has a molecular weight of 618.64 g/mol, XLogP of 3.07, 5 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-1-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] N-phenylcarbamate is sourced from PubChem (CID 102061255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).